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Basic Information
CAS No.: 91370-48-8
Name: Ethyl 3-amino-2-cyclohexylpropanoate
Molecular Structure:
Molecular Structure of 91370-48-8 (Ethyl 3-amino-2-cyclohexylpropanoate)
Formula: C11H21NO2
Molecular Weight: 199.293
Synonyms: cyclohexaneacetic acid, alpha-(aminomethyl)-, ethyl ester;
Density: 1.002 g/cm3
Boiling Point: 290 °C at 760 mmHg
Flash Point: 147 °C
PSA: 52.32000
LogP: 2.40500
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Specification

The Ethyl 3-amino-2-cyclohexylpropanoate, with the CAS registry number 91370-48-8, is also called cyclohexaneacetic acid, alpha-(aminomethyl)-, ethyl ester. The molecular formula of the chemical is C11H21NO2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.14; (4)#H bond acceptors: 3; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 6; (7)Polar Surface Area: 52.32 Å2; (8)Index of Refraction: 1.476; (9)Molar Refractivity: 56.11 cm3; (10)Molar Volume: 198.7 cm3; (11)Polarizability: 22.24×10-24cm3; (12)Surface Tension: 37.6 dyne/cm; (13)Density: 1.002 g/cm3; (14)Flash Point: 147.5 °C; (15)Enthalpy of Vaporization: 52.94 kJ/mol; (16)Boiling Point: 290.1 °C at 760 mmHg; (17)Vapour Pressure: 0.00212 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOC(=O)C(CN)C1CCCCC1
(2)InChI: InChI=1/C11H21NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h9-10H,2-8,12H2,1H3
(3)InChIKey: FGGNIJIRVZSZRQ-UHFFFAOYAL