(4-Fluoro-phenyl)-(1H-imidazol-2-ylmethyl)-amine supplier

Name
(4-Fluoro-phenyl)-(1H-imidazol-2-ylmethyl)-amine
EINECS
CAS No. 166096-17-9
Article Data1
CAS DataBase
Density 1.315 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀FN₃
Boiling Point 446.229 °C at 760 mmHg
Molecular Weight 191.2049032
Flash Point 223.671 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Fluoro-N-(1H-imidazol-2-ylmethyl)aniline;
PSA 40.71000
LogP 2.23390

(4-Fluoro-phenyl)-(1H-imidazol-2-ylmethyl)-amine 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

Product Name

(4-Fluoro-phenyl)-(1H-imidazol-2-ylmethyl)-amine

(4-Fluoro-phenyl)-(1H-imidazol-2-ylmethyl)-amine Specification

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