1-Propylimidazole - ≥98%(GC) , CAS No.35203-44-2

CAS: 35203-44-2 Cat. No.: P135093 분자식: C₆H₁₀N₂ 분자량: 110.16 EC 번호: 252-431-0 PubChem CID: 118785

GRADE & PURITY ≥98%(GC)

Synonyms

1H-Imidazole, propyl- | 1-Subsituted 1H-imidazole, 1 | SY029323 | 1-propylimidazole | FT-0655352 | A822648 | P1991 | AKOS002677337 | EN300-53765 | QuadraPure(R) BDZ, 400-750 mum, extent of labeling: 1.0-1.4 mmol/g loading, macroporous | AMY8648 | MFCD0006

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

1H-Imidazole, propyl- | 1-Subsituted 1H-imidazole, 1 | SY029323 | 1-propylimidazole | FT-0655352 | A822648 | P1991 | AKOS002677337 | EN300-53765 | QuadraPure(R) BDZ, 400-750 mum, extent of labeling: 1.0-1.4 mmol/g loading, macroporous | AMY8648 | MFCD0006

사양 및 순도

≥98%(GC)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 488187590
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187590
• 정식 스마일: CCCN1C=CN=C1
• IUPAC Name: 1-propylimidazole
• InChIKey: IYVYLVCVXXCYRI-UHFFFAOYSA-N
• INCHI: 1S/C6H10N2/c1-2-4-8-5-3-7-6-8/h3,5-6H,2,4H2,1H3
• 이성체 SMILES: CCCN1C=CN=C1
• PubChem CID: 118785
• 분자량: 110.16
• Reaxy-Rn: 107960

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 N-substituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: N-substituted imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
• 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

관련 대상(비인간)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: Air Sensitive.
• 굴절률: 1.48
• 발화점(°C): 88 °C
• 끓는점(°C): 94 °C/11 mmHg
• 분자량: 110.160 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 110.084 Da
• Monoisotopic Mass: 110.084 Da
• Topological Polar Surface Area: 17.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 63.500
• 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: 1

참고 문헌

1. Kun Yuan, Kehuai Feng, Sheng Liao, Xiaoning Liao, Yichen Zou, Dan Hou, Xuliang Nie, Wanming Xiong.  (2023)  Synthesis, characterization, and electrochemical properties of phenyl-coupled diimidazolium hexafluorophosphate ionic liquids.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2023.123515]

2. Hong-Qin Wang, Zi-Yang Huang, De-Wei Yue, Fang-Zhou Wang, Cheng-Hui Li.  (2022)  A variable-stiffness and healable pneumatic actuator.  Materials Horizons,  10  (3): (908-917).  [PMID:36541242] [10.1039/D2MH01056A]

3. Jifang Fu, Yufeng Xu, Linna Dong, Liya Chen, Qi Lu, Mengmeng Li, Xingfa Zeng, Sanwei Dai, Guorong Chen, Liyi Shi.  (2020)  Multiclaw-shaped octasilsesquioxanes functionalized ionic liquids toward organic-inorganic composite electrolytes for lithium-ion batteries.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2020.126942]

4. Xianqiang Huang, Yuquan Qi, Yuxiao Gu, Shuwen Gong, Guodong Shen, Qiang Li, Jikun Li.  (2020)  Imidazole-directed fabrication of three polyoxovanadate-based copper frameworks as efficient catalysts for constructing C–N bonds.  DALTON TRANSACTIONS,  49  (31): (10970-10976).  [PMID:32725036] [10.1039/D0DT02162H]

5. Xingyu Liu, Jinwei Gao, Guofu Zhou, Wanqiang Liu, Qianming Wang, Yuhui Zheng.  (2019)  Low molecular weight molecule induces the effective stabilization of CsPbBr3 in water.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2019.112199]

6. Sehee Kang, Yongchul G. Chung, Jo Hong Kang, Hojun Song.  (2019)  CO2 absorption characteristics of amino group functionalized imidazolium-based amino acid ionic liquids.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2019.111825]

7. Nianming Jiao, Yanqiang Zhang, Hao Li, Long Liu, Suojiang Zhang.  (2018)  [Bis(imidazolyl)–BH2]+[Bis(triazolyl)–BH2]− Ionic Liquids with High Density and Energy Capacity.  Chemistry-An Asian Journal,  13  (15): (1932-1940).  [PMID:29763525] [10.1002/asia.201800705]

8. Xueqi Sun, Shaojuan Zeng, Kuilin Peng, Wei Liu, Lu Bai, Yanchi Jiang, Tao Wang, Xiangping Zhang.  (2024)  A Water-Lean Triazole Ionic Liquid Biphasic Solvent for Energy-Efficient CO2 Capture Through Reversible Polarity and Intermolecular Hydrogen Bonding.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.4c00636]

9. Yan Qiang, Zhu Wenxu, Ma Xiaoxue, Liu Na, Liu Yucheng, Xia Meichen.  (2024)  Thermodynamic properties of new ether-functionalized [Co(NCS)4]2− paramagnetic ionic liquids.  IONICS,      [PMID:] [10.1007/s11581-024-05785-x]

10. Xiang Gao, Ao-Qi Yang, Wen-Bei Yu, Jia-Cong Zhou, Mao-Jun Pei, Jia-Cheng Chen, Wei Yan, Guo-Qiang Luo, Yao Liu, Jian-Hua Xiao, Jiujun Zhang.  (2025)  Generative Artificial Intelligence Navigated Development of Solvents for Next Generation High-Performance Magnesium Batteries.  ADVANCED MATERIALS,      [PMID:40960193] [10.1002/adma.202510083]