Benzenepropanoic acid,3-amino-, methyl ester supplier

Name
3-(3-Amino-phenyl)-propionic acid methyl ester
EINECS
CAS No. 35418-08-7
Article Data9
CAS DataBase
Density 1.112 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃NO₂
Boiling Point 298.8 °C at 760 mmHg
Molecular Weight 179.219
Flash Point 154.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hydrocinnamicacid, m-amino-, methyl ester (6CI);3-(3-Aminophenyl)propionic acid methylester;Methyl 3-(3'-aminophenyl)propionate;Methyl 3-(m-aminophenyl)propionate;
PSA 52.32000
LogP 1.95560

Benzenepropanoic acid,3-amino-, methyl ester Specification

The Benzenepropanoic acid,3-amino-, methyl ester, with the CAS registry number 35418-08-7, has the systematic name of methyl 3-(3-aminophenyl)propanoate. It belongs to the product category of Pharmaceutical intermediate. And the molecular formula of the chemical is C₁₀H₁₃NO₂.

The characteristics of Benzenepropanoic acid,3-amino-, methyl ester are as followings: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 2.98; (6)ACD/BCF (pH 7.4): 3.25; (7)ACD/KOC (pH 5.5): 74.27; (8)ACD/KOC (pH 7.4): 80.84; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 51.07 cm³; (15)Molar Volume: 161 cm³; (16)Polarizability: 20.24×10^-24cm³; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.112 g/cm³; (19)Flash Point: 154.6 °C; (20)Enthalpy of Vaporization: 53.88 kJ/mol; (21)Boiling Point: 298.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00124 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)CCc1cc(N)ccc1
(2)InChI: InChI=1/C10H13NO2/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-4,7H,5-6,11H2,1H3
(3)InChIKey: PITMSNMLUXCPLM-UHFFFAOYAA

Product Name

3-(3-Amino-phenyl)-propionic acid methyl ester

Benzenepropanoic acid,3-amino-, methyl ester Specification

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