Cas no 102872-47-9 (1H-Benzimidazole-1-ethanol,4-amino-)
102872-47-9 structure
Product Name:1H-Benzimidazole-1-ethanol,4-amino-
CAS No:102872-47-9
MF:C9H11N3O
MW:177.203141450882
CID:125323
PubChem ID:119081951
Update Time:2025-04-18
1H-Benzimidazole-1-ethanol,4-amino- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-1-ethanol,4-amino-
- 1-Benzimidazoleethanol,4-amino- (6CI)
- 1-Benzimidazoleethanol,4-amino-(6CI)
- 102872-47-9
- 2-(4-amino-1H-benzo[d]imidazol-1-yl)ethanol
-
- Inchi： 1S/C9H11N3O/c10-7-2-1-3-8-9(7)11-6-12(8)4-5-13/h1-3,6,13H,4-5,10H2
- InChI Key： NMIVIUFRTHZAIH-UHFFFAOYSA-N
- SMILES： OCCN1C=NC2C(=CC=CC1=2)N
Computed Properties
- Exact Mass: 177.09033
- Monoisotopic Mass: 177.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 176
- 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: 64.1A^2
- XLogP3: 0
Experimental Properties
- PSA: 64.07
1H-Benzimidazole-1-ethanol,4-amino- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
102872-47-9 (1H-Benzimidazole-1-ethanol,4-amino-) Related Products
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