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117259-23-1

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Basic Information
CAS No.: 117259-23-1
Name: 1-AMINO-4-PHENYLCYCLOHEXANECARBOXYLIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 117259-23-1 (1-AMINO-4-PHENYLCYCLOHEXANECARBOXYLIC ACID)
Formula: C13H17NO2
Molecular Weight: 219.28
Synonyms: 1-Amino-4-phenylcyclohexanecarboxylic acid;
Density: 1.161 g/cm3
Boiling Point: 387.71 °C at 760 mmHg
Flash Point: 188.28 °C
Risk Codes: 36
Safety: 26
PSA: 63.32000
LogP: 2.82660
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Specification

The Cyclohexanecarboxylicacid, 1-amino-4-phenyl-, with the CAS registry number 117259-23-1, is also known as 1-Amino-4-phenylcyclohexanecarboxylic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C13H17NO2 and molecular weight is 219.28. What's more, its IUPAC name is 1-Amino-4-phenylcyclohexane-1-carboxylic acid.

Physical properties about Cyclohexanecarboxylicacid, 1-amino-4-phenyl- are: (1) ACD/LogP: 2.03; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 3; (8) #H bond donors: 3; (9) #Freely Rotating Bonds: 3; (10) Polar Surface Area: 63.32 Å2; (11) Index of Refraction: 1.567; (12) Molar Refractivity: 61.68 cm3; (13) Molar Volume: 188.889 cm3; (14) Polarizability: 24.452×10-24 cm3; (15) Surface Tension: 49.403 dyne/cm; (16) Density: 1.161 g/cm3; (17) Flash Point: 188.28 °C; (18) Enthalpy of Vaporization: 67.168 kJ/mol; (19) Boiling Point: 387.71 °C at 760 mmHg; (20) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)C1(N)CCC(CC1)c2ccccc2
(2) InChI: InChI=1/C13H17NO2/c14-13(12(15)16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16)
(3) InChIKey: TWAYLYPZRSXEOS-UHFFFAOYAB