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Cyclohexanecarboxylicacid, 1-amino-2-phenyl-

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Name

Cyclohexanecarboxylicacid, 1-amino-2-phenyl-

EINECS N/A
CAS No. 5034-75-3 Density 1.16 g/cm3
PSA 63.32000 LogP 2.82660
Solubility N/A Melting Point N/A
Formula C13H17NO2 Boiling Point 387.7 °C at 760 mmHg
Molecular Weight 219.28 Flash Point 188.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5034-75-3 (1-AMINO-2-PHENYLCYCLOHEXANECARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

1-azanyl-2-phenyl-cyclohexane-1-carboxylic acid;AIDS-125568;1-Amino-2-phenylcyclohexanecarboxylic acid;

 

Cyclohexanecarboxylicacid, 1-amino-2-phenyl- Specification

The CAS register number of Cyclohexanecarboxylicacid, 1-amino-2-phenyl- is 5034-75-3. It also can be called as 1-azanyl-2-phenyl-cyclohexane-1-carboxylic acid and the systematic name about this chemical is 1-amino-2-phenylcyclohexane-1-carboxylic acid. The molecular formula about this chemical is C13H17NO2 and the molecular weight is 219.28.

Physical properties about Cyclohexanecarboxylicacid, 1-amino-2-phenyl- are: (1)ACD/LogP: 2.36; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.45; (5)ACD/KOC (pH 7.4): 1.45; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 29.54 Å2; (10)Index of Refraction: 1.566; (11)Molar Refractivity: 61.68 cm3; (12)Molar Volume: 188.8 cm3; (13)Polarizability: 24.45x10-24cm3; (14)Surface Tension: 49.4 dyne/cm; (15)Density: 1.16 g/cm3; (16)Flash Point: 188.3 °C; (17)Enthalpy of Vaporization: 67.17 kJ/mol; (18)Boiling Point: 387.7 °C at 760 mmHg; (19)Vapour Pressure: 1.05E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C2(N)CCCCC2c1ccccc1
(2)InChI: InChI=1/C13H17NO2/c14-13(12(15)16)9-5-4-8-11(13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,14H2,(H,15,16)
(3)InChIKey: QAKNRGSEJPUFDI-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C13H17NO2/c14-13(12(15)16)9-5-4-8-11(13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,14H2,(H,15,16)
(5)Std. InChIKey: QAKNRGSEJPUFDI-UHFFFAOYSA-N

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