Cas no 111678-92-3 (1H-Benzimidazol-2-amine,N-(2-chloroethyl)-1-propyl-, hydrochloride (1:1))
111678-92-3 structure
Product Name:1H-Benzimidazol-2-amine,N-(2-chloroethyl)-1-propyl-, hydrochloride (1:1)
CAS No:111678-92-3
MF:C12H17Cl2N3
MW:274.189480543137
CID:167094
PubChem ID:3066876
Update Time:2025-04-19
1H-Benzimidazol-2-amine,N-(2-chloroethyl)-1-propyl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazol-2-amine,N-(2-chloroethyl)-1-propyl-, hydrochloride (1:1)
- 1-Propyl-2-(2-chloroethylamino)benzimidazole hydrochloride
- N-(2-chloroethyl)-1-propylbenzimidazol-2-amine,hydrochloride
- 1H-Benzimidazol-2-amine, N-(2-chloroethyl)-1-propyl-, monohydrochloride
- AC1MICP4
- CTK8G5781
- LS-32542
- N-(2-Chloroethyl)-1-propyl-1H-benzimidazol-2-amine monohydrochloride
- DTXSID40149705
- 111678-92-3
- N-(2-chloroethyl)-1-propylbenzimidazol-2-amine;hydrochloride
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- Inchi: 1S/C12H16ClN3.ClH/c1-2-9-16-11-6-4-3-5-10(11)15-12(16)14-8-7-13;/h3-6H,2,7-9H2,1H3,(H,14,15);1H
- InChI Key: PBAMUIKXAODGAR-UHFFFAOYSA-N
- SMILES: ClCCNC1=NC2C=CC=CC=2N1CCC.Cl
Computed Properties
- Exact Mass: 273.08021
- Monoisotopic Mass: 273.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 212
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.8?2
Experimental Properties
- Boiling Point: 377.3°Cat760mmHg
- Flash Point: 182°C
- PSA: 29.85
- LogP: 3.32090
1H-Benzimidazol-2-amine,N-(2-chloroethyl)-1-propyl-, hydrochloride (1:1) Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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