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3082-75-5

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Basic Information
CAS No.: 3082-75-5
Name: ethyl alaninate
Article Data: 40
Molecular Structure:
Molecular Structure of 3082-75-5 (ethyl alaninate)
Formula: C5H11NO2
Molecular Weight: 117.148
Synonyms: Alanine,ethyl ester, L- (6CI,7CI,8CI);(S)-Alanine ethyl ester;Alanine ethyl ester;Ethyl L-alaninate;Ethyl alaninate;L-a-Alanine ethyl ester;
EINECS: 221-380-6
Density: 0.987 g/cm3
Melting Point: 165-166.5 °C
Boiling Point: 127.8 °C at 760 mmHg
Flash Point: 3.5 °C
PSA: 52.32000
LogP: 0.59700
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Specification

The L-Alanine,ethyl ester, with the CAS registry number 3082-75-5, is also known as Alanine, ethyl ester, L-. Its EINECS registry number is 221-380-6. This chemical's molecular formula is C5H11NO2 and molecular weight is 117.14634. Its systematic name is called ethyl L-alaninate.

Physical properties of L-Alanine,ethyl ester: (1)ACD/LogP: 0.05; (2)ACD/LogD (pH 5.5): -2.38; (3)ACD/LogD (pH 7.4): -0.67; (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): 4.83; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.427; (12)Molar Refractivity: 30.48 cm3; (13)Molar Volume: 118.6 cm3; (14)Surface Tension: 32 dyne/cm; (15)Density: 0.987 g/cm3; (16)Flash Point: 3.5 °C; (17)Enthalpy of Vaporization: 36.55 kJ/mol; (18)Boiling Point: 127.8 °C at 760 mmHg; (19)Vapour Pressure: 11 mmHg at 25°C.

Uses of L-Alanine,ethyl ester: it can be used to produce N-Boc-L-Phe-L-Ala-OEt with N-tert-butoxycarbonyl-L-phenylalanine at ambient temperature. This reaction will need reagents triethylamine, diphenyl 2-oxo-3-oxazolinylphosphonate and solvent acetonitrile. The yield is about 90%.

L-Alanine,ethyl ester can be used to produce N-Boc-L-Phe-L-Ala-OEt with N-tert-butoxycarbonyl-L-phenylalanine

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)[C@@H](N)C
(2)InChI: InChI=1/C5H11NO2/c1-3-8-5(7)4(2)6/h4H,3,6H2,1-2H3/t4-/m0/s1
(3)InChIKey: ROBXZHNBBCHEIQ-BYPYZUCNBV