Cas no 98072-00-5 (1H-Benzimidazole-1-pentanamine,hydrochloride (1:1))
98072-00-5 structure
Product Name:1H-Benzimidazole-1-pentanamine,hydrochloride (1:1)
CAS No:98072-00-5
MF:C12H18ClN3
MW:239.744421482086
CID:816630
PubChem ID:43810682
Update Time:2025-04-19
1H-Benzimidazole-1-pentanamine,hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-1-pentanamine,hydrochloride (1:1)
- 1H-benzimidazolepentylamine monohydrochloride
- 5-(1H-benzimidazol-2-yl)pentan-1-amine,hydrochloride
- 5-(1H-1,3-benzodiazol-2-yl)pentan-1-amine hydrochloride
- 5-(1h-Benzo[d]imidazol-2-yl)pentan-1-amine hydrochloride
- 5-(1H-1,3-benzodiazol-2-yl)pentan-1-aminehydrochloride
- 88704-74-9
- EN300-38901
- 98072-00-5
- EINECS 308-450-2
- DTXSID20243417
- 5-(1H-benzimidazol-2-yl)pentan-1-amine hydrochloride
- 1H-Benzimidazolepentylamine HCl
- CS-0286723
-
- Inchi: 1S/C12H17N3.ClH/c13-9-5-1-2-8-12-14-10-6-3-4-7-11(10)15-12;/h3-4,6-7H,1-2,5,8-9,13H2,(H,14,15);1H
- InChI Key: KUMOODCHAIPRNY-UHFFFAOYSA-N
- SMILES: Cl.N1C2C=CC=CC=2N=C1CCCCCN
Computed Properties
- Exact Mass: 239.119
- Monoisotopic Mass: 239.119
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 184
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
- Topological Polar Surface Area: 54.7A^2
1H-Benzimidazole-1-pentanamine,hydrochloride (1:1) Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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