Guanidine carbonate - ≥99% , CAS No.593-85-1

CAS: 593-85-1 Cat. No.: G104710 Molecular Weight: 90.08 Beilstein Registry Number: 3628359 EC Number: 209-813-7

GRADE & PURITY ≥99%

Synonyms

Guanidine carbonate salt

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

Guanidine carbonate salt

Specifications & Purity

≥99%

Storage

Desiccated, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488181403
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181403
• Canonical Smiles: C(=N)(N)N.C(=N)(N)N.C(=O)(O)O
• IUPAC Name: carbonic acid;guanidine
• InChIKey: STIAPHVBRDNOAJ-UHFFFAOYSA-N
• INCHI: 1S/2CH5N3.CH2O3/c3*2-1(3)4/h2*(H5,2,3,4);(H2,2,3,4)
• Isomeric SMILES: C(=N)(N)N.C(=N)(N)N.C(=O)(O)O
• WGK Germany: 3
• RTECS: FG1750000
• Molecular Weight: 90.08
• Beilstein: 3628359
• Reaxy-Rn: 3628359
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3628359&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives
      • Subclass Organic carbonic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Organic carbonic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids
• Alternative Parents: Guanidines Carboximidamides Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Carbonic acid - Guanidine - Carboximidamide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic carbonic acids. These are compounds comprising the carbonic acid functional group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water 450 g/L (20°C); slightly soluble in alcohol and acetone.
• Melt Point(°C): 198°C
• Molecular Weight: 180.170 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 180.097 Da
• Monoisotopic Mass: 180.097 Da
• Topological Polar Surface Area: 209.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 52.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

References

1. Longfang Ren, Chen Zhang, Congcong Lin, Taotao Qiang.  (2023)  Improvement for the mechanical performance of boroxine-based self-healing polyurethane by quadruple hydrogen bonds.  JOURNAL OF POLYMER SCIENCE,      [PMID:] [10.1002/pol.20230702]

2. Haibin Niu, Jiaqi Li, Xin Song, Kaiyang Zhao, Li Liu, Chao Zhou, Guangfeng Wu.  (2023)  Multifunctional aqueous polyurethanes with high strength and self-healing efficiency based on silver nanowires for flexible strain sensors.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS,  26  (3): (2175-2189).  [PMID:38164717] [10.1039/D3CP04319C]

3. Xiaoye Bi, Dong Xue, Yunpeng Wang, Chencheng Lv, Zexiong Li, Tao Zhao.  (2023)  A flexible high-efficiency approach to preparing a durable flame-retardant cellulosic fabric as well as the research of the property.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2023.132697]

4. Yongchen Zhu, Jianwei Zhang, Weidong He.  (2023)  Experimental insight into interaction mechanism of guanidinium-5-aminotetrazole (GA) and nitrocellulose.  THERMOCHIMICA ACTA,      [PMID:] [10.1016/j.tca.2023.179596]

5. Cong Geng, Yanxing Feng, Quanlin Chen, Yuanzhi Jiang, Saif M. H. Qaid, Mingjian Yuan.  (2023)  Tuning the Growth Process of Perovskite Single Crystal for Enhanced X-ray Detection Stability.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.3c04389]

6. Mutailipu Miriding, Han Jian, Li Zhi, Li Fuming, Li Junjie, Zhang Fangfang, Long Xifa, Yang Zhihua, Pan Shilie.  (2023)  Achieving the full-wavelength phase-matching for efficient nonlinear optical frequency conversion in C(NH2)3BF4.  Nature Photonics,  17  (8): (694-701).  [PMID:] [10.1038/s41566-023-01228-7]

7. Jie Fu, Jun Liu, Lin Yuan, Qi Pan, Shuhua Chen, Yiqi Hu, Jinxing Chen, Wanli Ma, Qiao Zhang, Zeke Liu, Muhan Cao.  (2023)  3D/2D Core/Shell Perovskite Nanocrystals for High-Performance Solar Cells.  Small,  19  (17): (2207312).  [PMID:36725364] [10.1002/smll.202207312]

8. Yinghu Song, Jialiang Li, Guojun Song, Lina Zhang, Zhen Liu, Xianhui Jing, Fei Luo, Yingda Zhang, Yuhan Zhang, Xiaoru Li.  (2023)  Self-Healing Polyurethane Elastomers with High Mechanical Properties Based on Synergistically Thermo-Reversible and Quadruple Hydrogen Bonds.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.2c01849]

9. Beiying Qi, Xinchang Wang, Xinyue Wang, Jipeng Cheng, Yuanyuan Shang.  (2022)  Synthesis and H2S-Sensing Properties of MOF-Derived Cu-Doped ZnO Nanocages.  Nanomaterials,  12  (15): (2579).  [PMID:35957008] [10.3390/nano12152579]

10. Kangming Xu, Guoqing Chen, Mingjie Zhao, Weiyi He, Qiaoman Hu, Yong Pu.  (2022)  Transparent, self-recoverable, highly tough, puncture and tear resistant polyurethane supramolecular elastomer with fast self-healing capacity via “hard–soft” hard domain design.  RSC Advances,  12  (5): (2712-2720).  [PMID:35425297] [10.1039/D1RA07083E]

11. Meihua Gao, Na Du, Zhiyin Yao, Ying Li, Nan Chen, Wanguo Hou.  (2021)  Spontaneous vesicle formation and vesicle-to-α-gel transition in aqueous mixtures of sodium monododecylphosphate and guanidinium salts.  Soft Matter,  17  (17): (4604-4614).  [PMID:33949616] [10.1039/D1SM00303H]

12. Hong Ming, Yifei Zhao, Yayun Zhou, Shuai Zhang, Yuanjing Wang, Enhai Song, Zhiguo Xia, Qinyuan Zhang.  (2020)  A Guanidinium-Based Mn4+-Doped Red-Emitting Hybrid Phosphor with High Stability.  ACS Applied Electronic Materials,      [PMID:] [10.1021/acsaelm.0c00916]

13. Haopu Xie, Dekun Sheng, Yan Zhou, Shaobin Xu, Haohao Wu, Xinxin Tian, Yinglu Sun, Xiangdong Liu, Yuming Yang.  (2020)  Thermally healable polyurethane with tailored mechanical performance using dynamic crosslinking motifs.  NEW JOURNAL OF CHEMISTRY,  44  (32): (13584-13590).  [PMID:] [10.1039/D0NJ02671A]

14. Cao Chengyang, Zhang Dan, Lu Song, Liu Changcheng.  (2019)  Thermal decomposition behavior, kinetics, thermal safety and burning characteristics of guanidinium-5-aminotetrazole (GA) based propellants.  JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY,  143  (1): (609-618).  [PMID:] [10.1007/s10973-019-09063-1]

15. Bo Wu, Zhimeng Liu, Yuan Lei, Yi Wang, Qinfeng Liu, Anqian Yuan, Yuanyang Zhao, Xi Zhang, Jingxin Lei.  (2019)  Mutually-complementary structure design towards highly stretchable elastomers with robust strength and autonomous self-healing property.  POLYMER,      [PMID:] [10.1016/j.polymer.2019.122003]

16. Bo Wu, Yuan Lei, Yao Xiao, Yanjun Wang, Ye Yuan, Liang Jiang, Xi Zhang, Jingxin Lei.  (2019)  A Bio-Inspired and Biomass-Derived Healable Photochromic Material Induced by Hierarchical Structural Design.  MACROMOLECULAR MATERIALS AND ENGINEERING,  305  (1): (1900539).  [PMID:] [10.1002/mame.201900539]

17. Chen Yu-Juan, Liu Zhao-En, Yang Qian, Wang Chun-Feng, Zhuo Ke-Lei.  (2019)  Nitrogen-Doped Highly Photoluminescent Carbon Dots Derived from Citric Acid and Guanidine Carbonate.  JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY,  19  (7): (4058-4063).  [PMID:30764970] [10.1166/jnn.2019.16332]

18. Fangxu Dai, Ruiyang Zhao, Xudong Huai, Jishu Han, Lei Wang, Shouhua Feng.  (2019)  Magnetic ZnFe2O4@ZnSe hollow nanospheres for photocatalytic hydrogen production application.  COMPOSITES PART B-ENGINEERING,      [PMID:] [10.1016/j.compositesb.2019.05.102]

19. Wei Wang, Yingchao Liang, Zhaoxu Yang, Wei Zhang, Shuo Wang.  (2019)  Construction of ultraviolet protection, thermal insulation, superhydrophobic and aromatic textile with Al-doped ZnO–embedded lemon microcapsule coatings.  TEXTILE RESEARCH JOURNAL,      [PMID:] [10.1177/0040517518824842]

20. Yanyan Guo, Chengna Dai, Zhigang Lei.  (2018)  Hydrogenation of 2-ethylanthraquinone on Pd-La/SiO2/cordierite and Pd-Zn/SiO2/cordierite bimetallic monolithic catalysts.  Chemical Engineering and Processing-Process Intensification,      [PMID:] [10.1016/j.cep.2018.11.006]

21. Xiangxiang Cui, Zhenyu Zhang, Chunjing Shi, Qibo Peng, Xiaoyu Liu, Xiuqing Liu, Hongxiu Zhou, Junyuan Feng, Wei Wen.  (2024)  Atomic surface induced by novel green chemical mechanical polishing for aspheric thin-walled crucibles with large diameters.  Journal of Manufacturing Processes,      [PMID:] [10.1016/j.jmapro.2024.03.014]

22. Junjie Wang, Xiaoyu Dong, Haojie Qiu, Zhixiu Liu, Yufeng Kang, Jinghua Du, Xuefeng Yang, Xue-liang Li, Yunsheng Ding.  (2025)  Bioinspired Structure with Hierarchical Hydrogen Bonding and Metal Coordination for Enhanced Properties of Biobased Polyurethane Applied in Artificial Ligaments.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.4c03228]

23. Qiming Yan, Yang Cao, Qihui Chen, Maochun Hong, Meng Zhou.  (2024)  Inspired by plant body frameworks bionics: Fabrication of self-healing polyvinyl alcohol/cellulose nanocrystals composite hydrogels reinforced by polyurethane sponges for flexible supercapacitors.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39557248] [10.1016/j.ijbiomac.2024.137795]

24. Tian Pan, Li Yuan, Guozheng Liang, Aijuan Gu.  (2024)  Mechanically robust and thermal stable polyurethane elastomers with self-healing and recycling ability.  POLYMER ENGINEERING AND SCIENCE,      [PMID:] [10.1002/pen.27062]

25. Xueting Wang, Wei Zhao, Xinlin Li, Liwu Liu, Jinsong Leng, Yanju Liu.  (2024)  Multistimuli-Responsive Soft Actuators with Controllable Bionic Motions.  ACS Applied Materials & Interfaces,      [PMID:39500568] [10.1021/acsami.4c12834]

26. Ling Zhu, Yuqian Zhang, Shuai Chen, Zecheng Lin, Yuchen Zhang, Xiaowen Xie, Yongluo Qiao.  (2024)  PEDOT:PSS-based electronic “paper” with high surface-interface and mechanical strength and ultra-long wet-resistant capacity.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.154959]

27. Jialiang Li, Yinghu Song, Guojun Song, Zewen Li, Zhaoji Li, Xirui Yang, Xiaoru Li.  (2024)  Room-temperature self-healing polyurethane with superior mechanical properties based on supramolecular structure for flame retardant application.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.155628]

28. Shuai Qi, Sai Gong, Chang Liu, Shenzhen Li, Bo Li, Shiwei Xie, Xiao Zhang.  (2024)  Stability of Ti3C2-MXene/Waterborne polyurethane composite emulsion and investigation of visible light-driven film self-healing performance.  ADVANCED COMPOSITE MATERIALS,      [PMID:] [10.1080/09243046.2024.2336649]

29. Miaomiao Zhu, Wenxuan Xu, Long Chen, Duo Wu, Zhi Wang, Xiaoxue Hu, Xingrong Luo, Ranhua Xiong, Chaobo Huang.  (2024)  Ultrathin Self-Healing Nanofibrous Membrane with a Hierarchical Confined Structure for Biomimetic Epidermal Electrodes.  ACS Nano,      [PMID:39388302] [10.1021/acsnano.4c08617]

30. Zhe Sun, Tianfu Zhang, Zhehong Lu, Wei Jiang, Zihao Chen, Guangpu Zhang.  (2025)  Nanoscale interfacial reinforcement of highly filled composites constructed by a self-healing energetic polymer with triple dynamic bonds.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2025.114200]

31. Renquan Xing, Ying Sun, Xiangyi Hou, Jing Yan, Run Wang, Xupin Zhuang, Guang Yang.  (2025)  Bioinspired moist-electric generator with self-protection and autonomous healing enabled by dynamic supramolecular polyurethane.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.168114]

32. Jia Lina, Ma Qiang, Deng Yitong, Wang Shixian, Zhao Guoying, Sun Changyu.  (2025)  Structural arrangement and computational exploration of guanidinium-based hydrogen-bonded organic frameworks.  STRUCTURAL CHEMISTRY,      [PMID:] [10.1007/s11224-025-02614-3]

33. Liang Miaoqing, Guan Fanglan, Zhang Mei, Nie Jinmei, Bao Lihong.  (2025)  Castor oil-based self-healing polyurethane based on multiple hydrogen bonding and disulfide bonds.  JOURNAL OF POLYMER RESEARCH,  32  (4): (1-11).  [PMID:] [10.1007/s10965-025-04372-6]

34. Mufang Li, Qianqian Li, Wenwen Wang, Mengying Luo, Xiufang Zhu, Xing Qing, Wen Wang, Weibing Zhong, Qiongzhen Liu, Liyan Yang, Dong Wang.  (2025)  Tough and self-healing polyurethane elastomer and its application for fiber-based self-encapsulating strain sensor.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.162791]

35. Yue Yuan, Liangliang Huang, Yang Lu, Xin Shao, Yanfeng Bi.  (2025)  A dual-function europium sulfite-oxalate complex for proton conduction and fluorescence sensing for Fe3+ ions.  CRYSTENGCOMM,      [PMID:] [10.1039/D5CE00458F]

36. Xuantong Shao, Wei Guo, Jixiang Zhang, Nian Li, Shudong Zhang, Cui Liu, Zhenyang Wang.  (2025)  High-Strength Self-Healing Polyurethane Composites Reinforced by Hydrogen Bonds.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c00639]

37. Zhengyan Lin, Huili Liu, Liling Cao, Ling Huang, Xuehua Dong, Yuqiao Zhou, Daojiang Gao, Ning Ye.  (2025)  Deprotonation-Regulated Conformational Switching in Malonates Enables High-Performance Ultraviolet Polar Crystals.  INORGANIC CHEMISTRY,      [PMID:41042218] [10.1021/acs.inorgchem.5c03880]

38. Chen-Yuan Ma, Yu-Ming Pan, Pei Han, Mei-Hong Duan.  (2025)  [C(NH2)3]Pb(C2O4)Cl·H2O: A halogen- and lone-pair-tuned UV crystal with large birefringence originated from cooperative π-conjugation.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2025.143938]

39. Naike Wang, Tian Xia, Shuo Wu, Peng Zhu, Mengmeng Guo, Bo Liang.  (2025)  Humidity-responsive self-healing behavior of Polyurethane-Poly(N-isopropylacrylamide) with incorporation of ureido-pyrimidinone.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2025.114363]

40. Ziqi Chen, Chenxu Li, Xiaoyu Wu, Juanjuan Lu, Zhihua Yang, Xueling Hou, Miriding Mutailipu.  (2025)  Engineered Integration of Diverse Functional Units Induces Multifunctionality in Malonate-Borate Hybrids.  Aggregate,  6  (10): (e70134).  [PMID:] [10.1002/agt2.70134]

41. Shihao Zhang, Yanqing Wang, Feng Liu, Lei Ding, Shuxi Wang, Yuhan Wu, Laishi Li, Xudong Sun, Yusheng Wu.  (2025)  Molecular engineering of 3D porous boron nitride via dual-nitrogen synergy for enhanced tetracycline adsorption.  CERAMICS INTERNATIONAL,      [PMID:] [10.1016/j.ceramint.2025.12.458]

42. Wenxing Luo, Minming Zou, Jue Wang, Yan Ma, Xiaowu Hu, Wenjing Chen, Xiongxin Jiang, Qinglin Li.  (2026)  Intrinsic photothermal performance and flexibility of polyurethane phase change materials via π-π conjugation for personal thermal management in outdoor cold environments.  Materials Today Physics,      [PMID:] [10.1016/j.mtphys.2026.102039]

43. Hangwei Jia, Yaqi Jin, Junwei Feng, Bailin Chen, Feng Yu, Xueling Hou.  (2026)  [C(NH2)3]SbCl4: An NLO Material with Enhanced Second Harmonic Response and Birefringence.  INORGANIC CHEMISTRY,      [PMID:41572933] [10.1021/acs.inorgchem.5c05688]

44. Dongying Fu, Qi Wang, Shufang Wu, Ruifang Zhao, Shuang Chen, Wenjuan Jia, Ziyang Wu, Yueyue He, Xiaofei Li, Xiaorong Mao, Jiangtao Xu, Da-Wei Fu, Junhua Luo.  (2026)  Regulating Noncovalent Interactions to Construct High-Temperature Multiaxial Lead-Free Metal Halide Hybrid Ferroelectrics.  Journal of the American Chemical Society,      [PMID:] [10.1021/jacs.5c21648]