The 1H-Benzimidazol-2-amine,1-propyl-, with the CAS registry number 57667-50-2, is also known as 1-Propyl-2-aminobenzimidazole. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C10H13N3 and molecular weight is 175.23. What's more, its systematic name is 1-propyl-1H-benzimidazol-2-amine.
Physical properties of 1H-Benzimidazol-2-amine,1-propyl- are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 11.06; (7)ACD/KOC (pH 5.5): 5.18; (8)ACD/KOC (pH 7.4): 161.97; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 52.27 cm3; (15)Molar Volume: 147.8 cm3; (16)Polarizability: 20.72×10-24cm3; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 165.3 °C; (20)Enthalpy of Vaporization: 59.43 kJ/mol; (21)Boiling Point: 349.7 °C at 760 mmHg; (22)Vapour Pressure: 4.61E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n2c1ccccc1n(c2N)CCC
(2)InChI: InChI=1S/C10H13N3/c1-2-7-13-9-6-4-3-5-8(9)12-10(13)11/h3-6H,2,7H2,1H3,(H2,11,12)
(3)InChIKey: MGKUHRRJQCKXOW-UHFFFAOYSA-N
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