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57496-24-9

Basic Information
CAS No.: 57496-24-9
Name: 2-AMINO-2-CYCLOHEXYL-2-PHENYLACETIC ACID
Molecular Structure:
Molecular Structure of 57496-24-9 (2-AMINO-2-CYCLOHEXYL-2-PHENYLACETIC ACID)
Formula: C14H19NO2
Molecular Weight: 233.31
Synonyms: Amino(cyclohexyl)phenylacetic acid;benzeneacetic acid, α-amino-α-cyclohexyl-;
Density: 1.164 g/cm3
Boiling Point: 387 °C at 760 mmHg
Flash Point: 187.9 °C
PSA: 63.32000
LogP: 3.20580
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    2-AMINO-2-CYCLOHEXYL-2-PHENYLACETIC ACIDAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The Benzeneacetic acid, a-amino-a-cyclohexyl-, with the CAS registry number 57496-24-9, has the systematic name of amino(cyclohexyl)phenylacetic acid. And the molecular formula of this chemical is C14H19NO2. It is a kind of organic compound, and should be stored in the dry and cool environment.

The physical properties of Benzeneacetic acid, a-amino-a-cyclohexyl- are as following: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.01; (8)ACD/KOC (pH 7.4): 5; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 63.32 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 66.14 cm3; (15)Molar Volume: 200.4 cm3; (16)Polarizability: 26.22×10-24cm3; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.164 g/cm3; (19)Flash Point: 187.9 °C; (20)Enthalpy of Vaporization: 67.09 kJ/mol; (21)Boiling Point: 387 °C at 760 mmHg; (22)Vapour Pressure: 1.1E-06 mmHg at 25°C.  

You can still convert the following datas into molecular structure:
(1)SMILES: NC(C(O)=O)(c1ccccc1)C2CCCCC2
(2)InChI: InChI=1/C14H19NO2/c15-14(13(16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10,15H2,(H,16,17)
(3)InChIKey: BRBQDZBKZKUUMW-UHFFFAOYAC