Cas no 34658-81-6 (1,2-Ethanediamine,N1-1H-benzimidazol-2-yl-)
34658-81-6 structure
Product Name:1,2-Ethanediamine,N1-1H-benzimidazol-2-yl-
CAS No:34658-81-6
MF:C9H12N4
MW:176.21838092804
CID:295026
PubChem ID:22064898
Update Time:2025-04-19
1,2-Ethanediamine,N1-1H-benzimidazol-2-yl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Ethanediamine,N1-1H-benzimidazol-2-yl-
- 1,2-Ethanediamine,N-1H-benzimidazol-2-yl- (9CI)
- AKOS010145954
- CHEMBL2396909
- N1-(1H-BENZOIMIDAZOL-2-YL)-ETHANE-1,2-DIAMINE
- 34658-81-6
- BDBM50492281
- XARCUBHUCFGDIP-UHFFFAOYSA-N
- SCHEMBL4422048
- N1-(1H-Benzo[d]imidazol-2-yl)ethane-1,2-diamine
-
- Inchi： 1S/C9H12N4/c10-5-6-11-9-12-7-3-1-2-4-8(7)13-9/h1-4H,5-6,10H2,(H2,11,12,13)
- InChI Key： XARCUBHUCFGDIP-UHFFFAOYSA-N
- SMILES： N1C(=NC2C=CC=CC1=2)NCCN
Computed Properties
- Exact Mass: 176.10636
- Monoisotopic Mass: 176.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 162
- 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
- XLogP3: 0.6
- Topological Polar Surface Area: 66.7A^2
Experimental Properties
- PSA: 66.73
1,2-Ethanediamine,N1-1H-benzimidazol-2-yl- Related Literature
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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