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6617-95-4

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Basic Information
CAS No.: 6617-95-4
Name: 3-methylcyclohexyl phenylcarbamate
Molecular Structure:
Molecular Structure of 6617-95-4 (3-methylcyclohexyl phenylcarbamate)
Formula: C14H19NO2
Molecular Weight: 233.3062
Synonyms: 3-methylcyclohexyl phenylcarbamate;
Density: 1.08 g/cm3
Boiling Point: 306.1 °C at 760 mmHg
Flash Point: 138.9 °C
PSA: 38.33000
LogP: 3.88680
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Specification

The IUPAC name of this product is (3-Methylcyclohexyl) N-phenylcarbamate, and its CAS registry number is 6617-95-4. This chemical's molecular formula is C14H19NO2 and molecular weight is 233.3062.

Physical properties about (3-Methylcyclohexyl) N-phenylcarbamate are: (1)ACD/LogP: 4.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.32; (4)ACD/LogD (pH 7.4): 4.32; (5)ACD/BCF (pH 5.5): 1130.93; (6)ACD/BCF (pH 7.4): 1130.93; (7)ACD/KOC (pH 5.5): 5336.39; (8)ACD/KOC (pH 7.4): 5336.41; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 67.21 cm3; (15)Molar Volume: 214.9 cm3; (16)Polarizability: 26.64×10-24 cm3; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.08 g/cm3; (19)Flash Point: 138.9 °C; (20)Enthalpy of Vaporization: 54.66 kJ/mol; (21)Boiling Point: 306.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000788 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC1CC(CCC1)C)Nc2ccccc2
(2) InChI: InChI=1/C14H19NO2/c1-11-6-5-9-13(10-11)17-14(16)15-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,15,16)
(3) InChIKey: CBONEEFQGRAUFJ-UHFFFAOYAZ