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Basic Information
CAS No.: 179003-00-0
Name: 3-(2-Aminoethyl)benzoic acid methyl ester
Article Data: 8
Molecular Structure:
Molecular Structure of 179003-00-0 (3-(2-Aminoethyl)benzoic acid methyl ester)
Formula: C10H13NO2
Molecular Weight: 179.219
Synonyms: Methyl 3-(2-aminoethyl)benzoate;
Density: 1.094 g/cm3
Boiling Point: 293.816 °C at 760 mmHg
Flash Point: 150.518 °C
PSA: 52.32000
LogP: 1.67470
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Specification

The CAS registry number of 3-(2-Aminoethyl)benzoic acid methyl ester is 179003-00-0. In addition, the molecular formula is C10H13NO2 and the molecular weight is 179.09. The systematic name is methyl 3-(2-aminoethyl)benzoate. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 3-(2-Aminoethyl)benzoic acid methyl ester are: (1)ACD/LogP: 1.49; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 52.32 Å2; (12)Index of Refraction: 1.536; (13)Molar Refractivity: 51.111 cm3; (14)Molar Volume: 163.821 cm3; (15)Polarizability: 20.262 ×10-24cm3; (16)Surface Tension: 42.287 dyne/cm; (17)Density: 1.094 g/cm3; (18)Flash Point: 150.518 °C; (19)Enthalpy of Vaporization: 53.341 kJ/mol; (20)Boiling Point: 293.816 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(ccc1)CCN
(2)InChI: InChI=1/C10H13NO2/c1-13-10(12)9-4-2-3-8(7-9)5-6-11/h2-4,7H,5-6,11H2,1H3
(3)InChIKey: XMXYETFVQPTTJI-UHFFFAOYAY