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64137-52-6

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Basic Information
CAS No.: 64137-52-6
Name: 1H-Benzimidazole-2-propanamine,N-methyl-(9CI)
Article Data: 2
Molecular Structure:
Molecular Structure of 64137-52-6 (1H-Benzimidazole-2-propanamine,N-methyl-(9CI))
Formula: C11H15N3
Molecular Weight: 189.26
Synonyms: N-[3-(1H-Benzimidazol-2-yl)propyl]-N-methylamine;[3-(1H-Benzimidazol-2-yl)propyl]methylamine;
EINECS: 425-760-4
Density: 1.114 g/cm3
Boiling Point: 401 °C at 760 mmHg
Flash Point: 196.3 °C
PSA: 40.71000
LogP: 2.10580
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Specification

The 1H-Benzimidazole-2-propanamine,N-methyl-, with the CAS registry number 64137-52-6, is also known as N-[3-(1H-Benzimidazol-2-yl)propyl]-N-methylamine. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C11H15N3 and molecular weight is 189.26. Its systematic name is called 3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine.

Physical properties of 1H-Benzimidazole-2-propanamine,N-methyl-: (1)ACD/LogP: 1.40; (2)ACD/LogD (pH 5.5): -2.3; (3)ACD/LogD (pH 7.4): -1.33; (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): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.612; (12)Molar Refractivity: 59.02 cm3; (13)Molar Volume: 169.7 cm3; (14)Surface Tension: 48.9 dyne/cm; (15)Density: 1.114 g/cm3; (16)Flash Point: 196.3 °C; (17)Enthalpy of Vaporization: 65.2 kJ/mol; (18)Boiling Point: 401 °C at 760 mmHg; (19)Vapour Pressure: 1.22E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c1ccccc1nc2CCCNC
(2)InChI: InChI=1/C11H15N3/c1-12-8-4-7-11-13-9-5-2-3-6-10(9)14-11/h2-3,5-6,12H,4,7-8H2,1H3,(H,13,14)
(3)InChIKey: VMZCBGQDEWCDBV-UHFFFAOYAA