Benzeneacetic acid, a-amino-a-cyclohexyl- supplier

Name
2-AMINO-2-CYCLOHEXYL-2-PHENYLACETIC ACID
EINECS
CAS No. 57496-24-9
Density 1.164 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₉NO₂
Boiling Point 387 °C at 760 mmHg
Molecular Weight 233.31
Flash Point 187.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Amino(cyclohexyl)phenylacetic acid;benzeneacetic acid, α-amino-α-cyclohexyl-;
PSA 63.32000
LogP 3.20580

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

Product Name

2-AMINO-2-CYCLOHEXYL-2-PHENYLACETIC ACID

Benzeneacetic acid, a-amino-a-cyclohexyl- Specification

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