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Basic Information
CAS No.: 54159-18-1
Name: ETHYL 2-(BENZYLAMINO)PROPANOATE
Molecular Structure:
Molecular Structure of 54159-18-1 (ETHYL 2-(BENZYLAMINO)PROPANOATE)
Formula: C12H17NO2
Molecular Weight: 207.272
Synonyms: Alanine,N-benzyl-, ethyl ester (7CI);Ethyl 2-benzylaminopropionate;N-Benzylalanineethyl ester;NSC 7998;
Density: 1.031 g/cm3
Boiling Point: 288.2 °C at 760 mmHg
Flash Point: 128.1 °C
Hazard Symbols: IrritantXi
PSA: 38.33000
LogP: 2.11870
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Specification

The L-Alanine,N-(phenylmethyl)-, ethyl ester, with the CAS registry number 54159-18-1, is also known as Ethyl N-benzylalaninate. It belongs to the product categories of Aliphatics; Esters. This chemical's molecular formula is C12H17NO2 and molecular weight is 207.125929. Its IUPAC name is called ethyl 2-(benzylamino)propanoate. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes. 

Physical properties of L-Alanine,N-(phenylmethyl)-, ethyl ester: (1)ACD/LogP: 2.64; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 6; (5)Index of Refraction: 1.505; (6)Molar Refractivity: 59.66 cm3; (7)Molar Volume: 200.9 cm3; (8)Surface Tension: 36.2 dyne/cm; (9)Density: 1.031 g/cm3; (10)Flash Point: 128.1 °C; (11)Enthalpy of Vaporization: 52.74 kJ/mol; (12)Boiling Point: 288.2 °C at 760 mmHg; (13)Vapour Pressure: 0.00238 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C(C)NCC1=CC=CC=C1
(2)InChI: InChI=1S/C12H17NO2/c1-3-15-12(14)10(2)13-9-11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3
(3)InChIKey: QDBFFNIUCGDMQN-UHFFFAOYSA-N