3-(2-Aminoethyl)benzoic acid methyl ester supplier

Name
3-(2-Aminoethyl)benzoic acid methyl ester
EINECS
CAS No. 179003-00-0
Article Data8
CAS DataBase
Density 1.094 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃NO₂
Boiling Point 293.816 °C at 760 mmHg
Molecular Weight 179.219
Flash Point 150.518 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 3-(2-aminoethyl)benzoate;
PSA 52.32000
LogP 1.67470

3-(2-Aminoethyl)benzoic acid methyl ester 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

Product Name

3-(2-Aminoethyl)benzoic acid methyl ester

3-(2-Aminoethyl)benzoic acid methyl ester Specification

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