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43023-11-6

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Basic Information
CAS No.: 43023-11-6
Name: 1-Phenyl-1H-benzoimidazol-2-ylamine
Article Data: 9
Molecular Structure:
Molecular Structure of 43023-11-6 (1-Phenyl-1H-benzoimidazol-2-ylamine)
Formula: C13H11N3
Molecular Weight: 209.25
Synonyms: 1-Phenyl-1H-benzimidazol-2-amine;1-Phenyl-1H-1,3-benzodiazol-2-amine;
Density: 1.241 g/cm3
Melting Point: 148-150 °C
Boiling Point: 428.855 °C at 760 mmHg
Flash Point: 428.855 °C at 760 mmHg
PSA: 44.57000
LogP: 2.53780
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Specification

The 1-Phenyl-1H-benzoimidazol-2-ylamine, with the CAS registry number 43023-11-6, is also known as 1-Phenyl-1H-1,3-benzodiazol-2-amine. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C13H11N3 and molecular weight is 209.10. What's more, its systematic name is 1-Phenyl-1H-benzimidazol-2-amine.

Physical properties of 1-Phenyl-1H-benzoimidazol-2-ylamine are: (1)ACD/LogP: 3.371; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 64.33; (6)ACD/BCF (pH 7.4): 208.42; (7)ACD/KOC (pH 5.5): 486.85; (8)ACD/KOC (pH 7.4): 1577.27; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.84 Å2; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 63.733 cm3; (15)Molar Volume: 168.623 cm3; (16)Polarizability: 25.266×10-24cm3; (17)Surface Tension: 52.06 dyne/cm; (18)Density: 1.241 g/cm3; (19)Flash Point: 213.164 °C; (20)Enthalpy of Vaporization: 68.406 kJ/mol; (21)Boiling Point: 428.855 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c1ccccc1n(c2N)c3ccccc3
(2)Std. InChI: InChI=1S/C13H11N3/c14-13-15-11-8-4-5-9-12(11)16(13)10-6-2-1-3-7-10/h1-9H,(H2,14,15)
(3)Std. InChIKey: LUEQIDSEGWXUMD-UHFFFAOYSA-N