Cas no 752934-04-6 (1H-Benzimidazole-2-ethanamine, beta-methyl-)
752934-04-6 structure
Product Name:1H-Benzimidazole-2-ethanamine, beta-methyl-
CAS No:752934-04-6
MF:C10H13N3
MW:175.230321645737
CID:561723
Update Time:2023-08-02
1H-Benzimidazole-2-ethanamine, beta-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-ethanamine,b-methyl-
- 2-(1H-Benzimidazol-2-yl)propan-1-amine
- 1H-Benzimidazole-2-ethanamine, -bta--methyl-
- 1H-Benzimidazole-2-ethanamine, beta-methyl-
- 2-(1H-benzo[d]imidazol-2-yl)propan-1-amine
-
- Inchi： 1S/C10H13N3/c1-7(6-11)10-12-8-4-2-3-5-9(8)13-10/h2-5,7H,6,11H2,1H3,(H,12,13)
- InChI Key： BTAUHCRNEHZJEC-UHFFFAOYSA-N
- SMILES： N1C2C=CC=CC=2N=C1C(C)CN
Computed Properties
- Exact Mass: 175.111
- Monoisotopic Mass: 175.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- 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
- Surface Charge: 0
- Tautomer Count: 5
- XLogP3: 1.4
- Topological Polar Surface Area: 54.7
1H-Benzimidazole-2-ethanamine, beta-methyl- Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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