CAS No.49823-14-5,1-(2-Phenylethyl)-1H-imidazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	49823-14-5
Name:	1-(2-Phenylethyl)-1H-imidazole
Article Data:	14

Formula:	C₁₁H₁₂N₂
Molecular Weight:	172.23
Synonyms:	1-Phenethylimidazole;1-(2-Phenylethyl)-1H-imidazole;
Density:	1.025 g/cm³
Boiling Point:	349.146 °C at 760 mmHg
Flash Point:	164.958 °C
PSA:	17.82000
LogP:	2.12580

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Specification

The IUPAC name of 1-Phenethylimidazole is 1-Phenethylimidazole. With the CAS registry number 49823-14-5, it is also named as 1-(2-Phenylethyl)-1H-imidazole. In addition, its molecular formula is C₁₁H₁₂N₂ and its molecular weight is 172.23.

The other characteristics of 1-Phenethylimidazole can be summarized as: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 6; (8)ACD/KOC (pH 7.4): 140; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 55.15 cm³; (15)Molar Volume: 168.076 cm³; (16)Polarizability: 21.863×10^-24cm³; (17)Surface Tension: 40.247 dyne/cm; (18)Density: 1.025 g/cm³; (19)Flash Point: 164.958 °C; (20)Enthalpy of Vaporization: 57.016 kJ/mol; (21)Boiling Point: 349.146 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:n1ccn(c1)CCc2ccccc2
(2)InChI:InChI=1/C11H12N2/c1-2-4-11(5-3-1)6-8-13-9-7-12-10-13/h1-5,7,9-10H,6,8H2
(3)InChIKey:SSENHTOBLYRWKU-UHFFFAOYAD
(4)Std. InChI:InChI=1S/C11H12N2/c1-2-4-11(5-3-1)6-8-13-9-7-12-10-13/h1-5,7,9-10H,6,8H2
(5)Std. InChIKey:SSENHTOBLYRWKU-UHFFFAOYSA-N