CAS No.5805-57-2,(1H-BENZO[D]IMIDAZOL-2-YL)METHANAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5805-57-2
Name:	(1H-BENZO[D]IMIDAZOL-2-YL)METHANAMINE
Article Data:	41

Formula:	C₈H₉N₃
Molecular Weight:	147.18
Synonyms:	2-Benzimidazolylmethylamine;2-Aminomethylbenzimidazole;1-(1H-Benzimidazol-2-yl)methanamine;Benzimidazole,2-(aminomethyl)- (6CI,7CI,8CI);
Density:	1.278 g/cm³
Melting Point:	101.5 °C
Boiling Point:	384.3 °C at 760 mmHg
Flash Point:	214.5 °C
Hazard Symbols:	Xi
PSA:	54.70000
LogP:	1.72190

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Specification

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.