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Benzeneacetic acid, a-amino-a-cyclohexyl-

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Name

Benzeneacetic acid, a-amino-a-cyclohexyl-

EINECS N/A
CAS No. 57496-24-9 Density 1.164 g/cm3
PSA 63.32000 LogP 3.20580
Solubility N/A Melting Point N/A
Formula C14H19NO2 Boiling Point 387 °C at 760 mmHg
Molecular Weight 233.31 Flash Point 187.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 57496-24-9 (2-AMINO-2-CYCLOHEXYL-2-PHENYLACETIC ACID) Hazard Symbols N/A
Synonyms

Amino(cyclohexyl)phenylacetic acid;benzeneacetic acid, α-amino-α-cyclohexyl-;

 

Benzeneacetic acid, a-amino-a-cyclohexyl- 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

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