CAS No.294656-36-3,1H-Benzimidazole-2-methanol,5-amino-(9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	294656-36-3
Name:	1H-Benzimidazole-2-methanol,5-amino-(9CI)

Formula:	C₈H₉N₃O
Molecular Weight:	163.179
Synonyms:	1H-Benzimidazole-2-methanol,5-amino- (9CI);(5-Aminobenzimidazol-2-yl)methanol;(6-amino-1H-benzimidazol-2-yl)methanol;(5-amino-1H-benzimidazol-2-yl)methanol;1H-Benzimidazole-2-methanol, 5-amino-;(5-amino-1H-benzo[d]imidazol-2-yl)methanol dihydrochloride;
Density:	1.467 g/cm³
Boiling Point:	516.2 °C at 760 mmHg
Flash Point:	266 °C
PSA:	74.93000
LogP:	1.21860

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Specification

The 1H-Benzimidazole-2-methanol,6-amino-, with the CAS registry number 294656-36-3, has the systematic name of (6-amino-1H-benzimidazol-2-yl)methanol. It belongs to the product category of Benzimidazole. And the molecular formula of the chemical is C₈H₉N₃O.

The characteristics of 1H-Benzimidazole-2-methanol,6-amino- are as followings: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.6; (6)ACD/KOC (pH 7.4): 10.77; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 30.29 Å²; (11)Index of Refraction: 1.794; (12)Molar Refractivity: 47.3 cm³; (13)Molar Volume: 111.1 cm³; (14)Polarizability: 18.75×10^-24cm³; (15)Surface Tension: 91.8 dyne/cm ; (16)Density: 1.467 g/cm³; (17)Flash Point: 266 °C; (18)Enthalpy of Vaporization: 82.99 kJ/mol; (19)Boiling Point: 516.2 °C at 760 mmHg; (20)Vapour Pressure: 1.76E-11 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCc2nc1ccc(cc1n2)N
(2)InChI: InChI=1/C8H9N3O/c9-5-1-2-6-7(3-5)11-8(4-12)10-6/h1-3,12H,4,9H2,(H,10,11)
(3)InChIKey: AVKZEQGMZMYWRR-UHFFFAOYAC