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166096-17-9

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Basic Information
CAS No.: 166096-17-9
Name: (4-Fluoro-phenyl)-(1H-imidazol-2-ylmethyl)-amine
Article Data: 1
Molecular Structure:
Molecular Structure of 166096-17-9 ((4-Fluoro-phenyl)-(1H-imidazol-2-ylmethyl)-amine)
Formula: C10H10FN3
Molecular Weight: 191.2049032
Synonyms: 4-Fluoro-N-(1H-imidazol-2-ylmethyl)aniline;
Density: 1.315 g/cm3
Boiling Point: 446.229 °C at 760 mmHg
Flash Point: 223.671 °C
PSA: 40.71000
LogP: 2.23390
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    Molecular Formula: C10H10FN3 Formula Weight: 191.2049032

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Specification

The (4-Fluoro-phenyl)-(1H-imidazol-2-ylmethyl)-amine has CAS registry number 166096-17-9. This chemical's molecular formula is C10H10FN3 and molecular weight is 191.2049032. What's more, its systematic name is 4-Fluoro-N-(1H-imidazol-2-ylmethyl)aniline.

Physical properties about (4-Fluoro-phenyl)-(1H-imidazol-2-ylmethyl)-amine are: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 4; (7)ACD/KOC (pH 7.4): 75; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 40.71 Å2; (12)Index of Refraction: 1.648; (13)Molar Refractivity: 52.868 cm3; (14)Molar Volume: 145.347 cm3; (15)Polarizability: 20.959×10-24 cm3; (16)Surface Tension: 56.896 dyne/cm; (17)Density: 1.315 g/cm3; (18)Flash Point: 223.671 °C; (19)Enthalpy of Vaporization: 70.436 kJ/mol; (20)Boiling Point: 446.229 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1)NCc2nccn2
(2) InChI: InChI=1/C10H10FN3/c11-8-1-3-9(4-2-8)14-7-10-12-5-6-13-10/h1-6,14H,7H2,(H,12,13)
(3) InChIKey: GYNYGOFCVPTFRD-UHFFFAOYAV