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149193-87-3

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Basic Information
CAS No.: 149193-87-3
Name: ETHYL-3-AMINO-3-(3,5-DIFLUOROPHENYL)-PROPIONATE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 149193-87-3 (ETHYL-3-AMINO-3-(3,5-DIFLUOROPHENYL)-PROPIONATE HYDROCHLORIDE)
Formula: C11H13F2NO2.HCl
Molecular Weight: 229.227
Synonyms: ETHYL-3-AMINO-3-(3,5-DIFLUOROPHENYL)-PROPIONATE HYDROCHLORIDE
Density: 1.218±0.06 g/cm3(Predicted)
Boiling Point: 292.4 °C at 760 mmHg
Flash Point: 130.6 °C
PSA: 52.32000
LogP: 3.42010
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Specification

The Ethyl 3-amino-3-(3,5-difluorophenyl)propionate hydrochloride,with the CAS registry number 149193-87-3, is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C11H13F2NO2.HCl.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.49; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.2; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 47.76; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å2; (13)Flash Point: 130.6 °C; (14)Enthalpy of Vaporization: 53.19 kJ/mol; (15)Boiling Point: 292.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00184 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc(cc(F)c1)C(N)CC(=O)OCC.Cl
(2)InChI: InChI=1/C11H13F2NO2.ClH/c1-2-16-11(15)6-10(14)7-3-8(12)5-9(13)4-7;/h3-5,10H,2,6,14H2,1H3;1H
(3)InChIKey: VCTXBSLVZOEOIP-UHFFFAOYAD