4-[(1S)-1-Aminoethyl]benzoic acid methyl ester supplier

Name
Benzoic acid, 4-[(1S)-1-aminoethyl]-, methyl ester
EINECS
CAS No. 222714-37-6
Article Data7
CAS DataBase
Density 1.089 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃NO₂
Boiling Point 281.5 °C at 760 mmHg
Molecular Weight 179.219
Flash Point 140.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-[(1S)-1-Aminoethyl]benzoic acid methyl ester;
PSA 52.32000
LogP 2.19320

4-[(1S)-1-Aminoethyl]benzoic acid methyl ester Specification

The 4-[(1S)-1-Aminoethyl]benzoic acid methyl ester with the cas number 222714-37-6 is also called Benzoic acid,4-[(1S)-1-aminoethyl]-, methyl ester. The systematic name is methyl 4-[(1S)-1-aminoethyl]benzoate. Its molecular formula is C₁₀H₁₃NO₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 52.32Å²; (7)Index of Refraction: 1.533; (8)Molar Refractivity: 51.11 cm³; (9)Molar Volume: 164.5 cm³; (10)Polarizability: 20.26×10^-24cm³; (11)Surface Tension: 40.9 dyne/cm; (12)Enthalpy of Vaporization: 52.03 kJ/mol; (13)Vapour Pressure: 0.00354 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(c1ccc(cc1)C(=O)OC)N
(2)InChI: InChI=1/C10H13NO2/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-7H,11H2,1-2H3/t7-/m0/s1
(3)InChIKey: XSYGLHLLQZGWPT-ZETCQYMHBR

Product Name

Benzoic acid, 4-[(1S)-1-aminoethyl]-, methyl ester

4-[(1S)-1-Aminoethyl]benzoic acid methyl ester Specification

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