1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide methiodide - ≥98% , CAS No.22572-40-3

CAS: 22572-40-3 Cat. No.: D303121 Molecular Weight: 297.18 EC Number: 245-095-1

GRADE & PURITY ≥98%

Synonyms

(3-((Ethylimidocarbonyl)amino)propyl)trimethylammonium iodide | EDC methiodide | 1-ethyl-3-(3-(dimethylamino)propyl)carbodiimide methiodide

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

(3-((Ethylimidocarbonyl)amino)propyl)trimethylammonium iodide | EDC methiodide | 1-ethyl-3-(3-(dimethylamino)propyl)carbodiimide methiodide

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCN=C=NCCC[N+](C)(C)C.[I-]
• InChIKey: AGSKWMRPXWHSPF-UHFFFAOYSA-M
• INCHI: 1S/C9H20N3.HI/c1-5-10-9-11-7-6-8-12(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCN=C=NCCC[N+](C)(C)C.[I-]
• WGK Germany: 1
• Molecular Weight: 297.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Carbodiimides Organopnictogen compounds Organic iodide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbodiimide - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• 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

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Hygroscopic；Heat Sensitive；Light sensitive
• Melt Point(°C): 97-99°C (Lit.)
• Molecular Weight: 297.180 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 297.07 Da
• Monoisotopic Mass: 297.07 Da
• Topological Polar Surface Area: 24.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 161.000
• 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: 2

XLogP3

References

1. Xue Zhou, Ning Yan, Erik J. Cornel, Haidong Cai, Shaobo Xue, Hao Xi, Zhen Fan, Shisheng He, Jianzhong Du.  (2020)  Bone-targeting polymer vesicles for simultaneous imaging and effective malignant bone tumor treatment.  BIOMATERIALS,      [PMID:33172607] [10.1016/j.biomaterials.2020.120345]

2. Hui Sun, Yunqing Zhu, Bo Yang, Yanfang Wang, Yuping Wu, Jianzhong Du.  (2016)  Template-free fabrication of nitrogen-doped hollow carbon spheres for high-performance supercapacitors based on a scalable homopolymer vesicle.  Journal of Materials Chemistry A,  4  (31): (12088-12097).  [PMID:] [10.1039/C6TA04330E]

3. Mingyu Gan, Rui Yao, Baoping Wang, Jiarong Li, Ning Wang, Martin M F Choi, Wei Bian.  (2024)  3-aminophenylboronic acid modified carbon nitride quantum dots as fluorescent probe for selective detection of dopamine and cell imaging.  Methods and Applications in Fluorescence,  12  (2): (025001).  [PMID:38118181] [10.1088/2050-6120/ad17a1]

4. Zhuangzhuang Bai, Bingxiong Wang, Tingyao Gao, Xianbao Xu, Zhuangzhuang Du, Jie Han, Yang Hu, Yu Bai, Liu Wang, Cong Wang, Daoliang Li.  (2025)  A novel microfluidic colorimetric biosensor for rapid and automatic detection Escherichia coli O157:H7 in aquaponics water.  COMPUTERS AND ELECTRONICS IN AGRICULTURE,      [PMID:] [10.1016/j.compag.2025.109941]

5. Guang Liu, Zhilang Li, Zirong Lv, Qiuping Zheng, Cunji Gao, Jianniao Tian, Xing-Can Shen.  (2024)  A self-assembled Ru nanozyme with H2O2-activated oxygenation for NIR-II photoacoustic imaging-guided photothermal/photodynamic therapy.  Materials Advances,  5  (11): (4902-4912).  [PMID:] [10.1039/D4MA00103F]

6. Qida Hu, Fu Zhang, Bowen Li, Piaopiao Jin, Junming Huang, Zhuo Yao, Xinyu Zhao, Shiyi Shao, Meng Wang, Yuan Ping, Tingbo Liang.  (2025)  Engineered a Gemcitabine Nano-Prodrug Targeting Desmoplastic Pancreatic Tumor with Dual Enhancement of Penetration Dynamics.  Small,      [PMID:40007057] [10.1002/smll.202410629]

7. Jiang Wanyuan, Jin Xin, Li Borui, Qu Yunpeng, Wang Lin, Song Ce, Pei Mengfan, Zhang Tianpeng, Jian Xigao, Hu Fangyuan.  (2025)  Wide temperature range adaptable electric field driven binder for advanced lithium-sulfur batteries.  Nature Communications,  16  (1): (1-14).  [PMID:40849302] [10.1038/s41467-025-62909-1]

8. Chengju Sheng, Xuemei Tan, Qing Huang, Kewen Li, Chao Zhou, Mingming Guo.  (2022)  Antibacterial and Angiogenic Poly(ionic liquid) Hydrogels.  Gels,  8  (8): (476).  [PMID:36005077] [10.3390/gels8080476]