Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Benzimidazole-2-methanamine |
EINECS | N/A |
CAS No. | 5805-57-2 | Density | 1.278 g/cm3 |
PSA | 54.70000 | LogP | 1.72190 |
Solubility | N/A | Melting Point |
101.5 °C |
Formula | C8H9N3 | Boiling Point | 384.3 °C at 760 mmHg |
Molecular Weight | 147.18 | Flash Point | 214.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Benzimidazolylmethylamine;2-Aminomethylbenzimidazole;1-(1H-Benzimidazol-2-yl)methanamine;Benzimidazole,2-(aminomethyl)- (6CI,7CI,8CI); |
Article Data | 41 |
The CAS registry number of 1H-Benzimidazole-2-methanamine is 5805-57-2. In addition, the molecular formula is C8H9N3 and the molecular weight is 147.17. The IUPAC name is 1H-benzimidazol-2-ylmethanamine. What's more, it is a irritating chemical and should be stored in a cool and dry place.
Physical properties of 1H-Benzimidazole-2-methanamine are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.04; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 12.09; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 21.06 Å2; (12)Index of Refraction: 1.712; (13)Molar Refractivity: 45.07 cm3; (14)Molar Volume: 115 cm3; (15)Polarizability: 17.86 ×10-24cm3; (16)Surface Tension: 68.1 dyne/cm; (17)Density: 1.278 g/cm3; (18)Flash Point: 214.5 °C; (19)Enthalpy of Vaporization: 63.3 kJ/mol; (20)Boiling Point: 384.3 °C at 760 mmHg; (21)Vapour Pressure: 4.12E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n2c1ccccc1nc2CN
(2)InChI: InChI=1/C8H9N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2,(H,10,11)
(3)InChIKey: UCOSRTUSVXHIMK-UHFFFAOYAU
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | > 1gm/kg (1000mg/kg) | Farmaco. Vol. 45, Pg. 223, 1990. |