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CAS No.: | 3018-68-6 |
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Name: | 2-METHYL-1-PHENYL-1H-BENZIMIDAZOL-5-AMINE HYDROCHLORIDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C14H13N3 |
Molecular Weight: | 223.277 |
Synonyms: | Benzimidazole,5-amino-2-methyl-1-phenyl- (7CI,8CI);2-Methyl-1-phenyl-1H-benzimidazol-5-amine;2-Methyl-1-phenylbenzimidazole-5-ylamine; |
Density: | 1.21 g/cm3 |
Boiling Point: | 452.9 °C at 760 mmHg |
Flash Point: | 227.7 °C |
PSA: | 43.84000 |
LogP: | 4.29930 |
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The 1H-Benzimidazol-5-amine,2-methyl-1-phenyl-, with the CAS registry number 3018-68-6, is also known as 2-Methyl-1-phenylbenzimidazole-5-ylamine. This chemical's molecular formula is C14H13N3 and molecular weight is 223.27. What's more, its systematic name is 2-methyl-1-phenyl-1H-benzimidazol-5-amine.
Physical properties of 1H-Benzimidazol-5-amine,2-methyl-1-phenyl- are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 21.06 Å2; (7)Index of Refraction: 1.663; (8)Molar Refractivity: 68.15 cm3; (9)Molar Volume: 183.8 cm3; (10)Polarizability: 27.01×10-24cm3; (11)Surface Tension: 48 dyne/cm; (12)Density: 1.21 g/cm3; (13)Flash Point: 227.7 °C; (14)Enthalpy of Vaporization: 71.22 kJ/mol; (15)Boiling Point: 452.9 °C at 760 mmHg; (16)Vapour Pressure: 2.16E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n2c1cc(ccc1n(c2C)c3ccccc3)N
(2)InChI: InChI=1S/C14H13N3/c1-10-16-13-9-11(15)7-8-14(13)17(10)12-5-3-2-4-6-12/h2-9H,15H2,1H3
(3)InChIKey: LUUFJWDADHYUJL-UHFFFAOYSA-N