2-methyl-1H-benzimidazol-5-amine supplier

Name
1H-Benzimidazol-5-amine,2-methyl-(9CI)
EINECS
CAS No. 29043-48-9
Article Data1
CAS DataBase
Density 1.295 g/cm³
Solubility
Melting Point 95℃
Formula C₈H₉N₃
Boiling Point 441.1 °C at 760 mmHg
Molecular Weight 147.18
Flash Point 250.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Benzimidazol-5-amine,2-methyl- (9CI);Benzimidazole, 5(or 6)-amino-2-methyl- (7CI);Benzimidazole,5-amino-2-methyl- (8CI);2-Methyl-1H-benzimidazol-5-amine;2-Methyl-1H-benzimidazol-6-amine;2-Methyl-5-aminobenzimidazole;5-Amino-2-methyl-1H-benzimidazole;5-Amino-2-methylbenzimidazole;NSC 240761;2-methyl-1H-benzimidazol-5-amine;1H-benzimidazol-6-amine, 2-methyl-;2-methyl-1H-benzimidazol-6-amine;
PSA 54.70000
LogP 2.03470

2-methyl-1H-benzimidazol-5-amine Specification

The 2-methyl-1H-benzimidazol-5-amine, with the CAS registry number 29043-48-9, has the systematic name of 2-methyl-1H-benzimidazol-5-amine. It belongs to the product category of Benzimidazole. And the molecular formula of the chemical is C₈H₉N₃.

The characteristics of 2-methyl-1H-benzimidazol-5-amine are as followings: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.48; (8)ACD/KOC (pH 7.4): 26.42; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 21.06 Å²; (13)Index of Refraction: 1.736; (14)Molar Refractivity: 45.68 cm³; (15)Molar Volume: 113.6 cm³; (16)Polarizability: 18.1×10^-24cm³; (17)Surface Tension: 69.6 dyne/cm; (18)Density: 1.295 g/cm³; (19)Flash Point: 250.8 °C; (20)Enthalpy of Vaporization: 69.83 kJ/mol; (21)Boiling Point: 441.1 °C at 760 mmHg; (22)Vapour Pressure: 5.61E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n2c1ccc(cc1nc2C)N
(2)InChI: InChI=1/C8H9N3/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,9H2,1H3,(H,10,11)
(3)InChIKey: UJYKXBDYOPPOCY-UHFFFAOYAL

Product Name

1H-Benzimidazol-5-amine,2-methyl-(9CI)

2-methyl-1H-benzimidazol-5-amine Specification

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