Cas no 79851-06-2 (1H-Benzimidazole-1-butanamine)
1H-Benzimidazole-1-butanamine structure
Product Name:1H-Benzimidazole-1-butanamine
CAS No:79851-06-2
MF:C11H15N3
MW:189.256901979446
CID:556513
PubChem ID:4379481
Update Time:2025-04-19
1H-Benzimidazole-1-butanamine Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-1-butanamine
- 4-(Benzoimidazole-1-yl)-butylamine
- 4-(1H-benzimidazol-1-yl)butylamine
- 4-(1H-benzimidazol-1-yl)-butylamine
- AC1N93TH
- CTK2H6362
- OR7035
- SureCN6851027
- AKOS000157083
- DTXSID50402616
- FT-0712743
- 4-(benzimidazol-1-yl)butan-1-amine
- BQUQDSMLBPJKLL-UHFFFAOYSA-N
- MFCD03093045
- 79851-06-2
- SCHEMBL6851027
-
- Inchi： 1S/C11H15N3/c12-7-3-4-8-14-9-13-10-5-1-2-6-11(10)14/h1-2,5-6,9H,3-4,7-8,12H2
- InChI Key： BQUQDSMLBPJKLL-UHFFFAOYSA-N
- SMILES： N1(C=NC2C=CC=CC1=2)CCCCN
Computed Properties
- Exact Mass: 189.127
- Monoisotopic Mass: 189.127
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 172
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 43.8A^2
- XLogP3: 1.1
Experimental Properties
- Density: 1.14
- Boiling Point: 352.6°C at 760 mmHg
- Flash Point: 167°C
- Refractive Index: 1.608
1H-Benzimidazole-1-butanamine Security Information
- Hazard Statement： Irritant
-
Hazardous Material Identification：
1H-Benzimidazole-1-butanamine Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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