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CAS No.: | 20028-36-8 |
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Name: | C-(1-BENZYL-1H-BENZOIMIDAZOL-2-YL)-METHYLAMINE |
Molecular Structure: | |
Formula: | C15H15N3 |
Molecular Weight: | 237.304 |
Synonyms: | Benzimidazole,2-(aminomethyl)-1-benzyl- (8CI);1-Benzyl-2-(aminomethyl)benzimidazole;(1-Benzylbenzimidazol-2-yl)methanamine;1-(1-Benzyl-1H-benzimidazol-2-yl)methanamine;C-(1-Benzyl-1H-benzoimidazol-2-yl)-methylamine; |
Density: | 1.18 g/cm3 |
Boiling Point: | 451.1 °C at 760 mmHg |
Flash Point: | 226.6 °C |
PSA: | 43.84000 |
LogP: | 3.24360 |
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The 1H-Benzimidazole-2-methanamine,1-(phenylmethyl)-, with the CAS registry number 20028-36-8, is also known as 1-(1-Benzyl-1H-benzimidazol-2-yl)methanamine. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C15H15N3 and molecular weight is 237.3. What's more, its IUPAC name is (1-benzylbenzimidazol-2-yl)methanamine.
Physical properties of 1H-Benzimidazole-2-methanamine,1-(phenylmethyl)- are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 21.06 Å2; (7)Index of Refraction: 1.646; (8)Molar Refractivity: 72.95 cm3; (9)Molar Volume: 200.8 cm3; (10)Polarizability: 28.92×10-24cm3; (11)Surface Tension: 48.5 dyne/cm; (12)Density: 1.18 g/cm3; (13)Flash Point: 226.6 °C; (14)Enthalpy of Vaporization: 71.01 kJ/mol; (15)Boiling Point: 451.1 °C at 760 mmHg; (16)Vapour Pressure: 2.5E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CN
(2)InChI: InChI=1S/C15H15N3/c16-10-15-17-13-8-4-5-9-14(13)18(15)11-12-6-2-1-3-7-12/h1-9H,10-11,16H2
(3)InChIKey: VEVDESVNDYRKCI-UHFFFAOYSA-N