N-(1-Oxopropyl)-L-alanine ethyl ester supplier

Name
(S)-ethyl 2-propionamidopropanoate
EINECS
CAS No. 42167-52-2
Density 1.016 g/cm³
Solubility
Melting Point
Formula C₈H₁₅NO₃
Boiling Point 282.5 °C at 760 mmHg
Molecular Weight 173.21
Flash Point 124.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ethyl (2S)-2-(propanoylamino)propanoate;(S)-ethyl 2-propionamidopropanoate;Ethyl N-propionyl-L-alaninate;
PSA 55.40000
LogP 0.85510

N-(1-Oxopropyl)-L-alanine ethyl ester Specification

The CAS register number of N-(1-Oxopropyl)-L-alanine ethyl ester is 42167-52-2. It also can be called as Ethyl N-propionyl-L-alaninate and the systematic name about this chemical is ethyl (2S)-2-(propanoylamino)propanoate. The molecular formula about this chemical is C₈H₁₅NO₃and molecular weight is 173.21.

Physical properties about N-(1-Oxopropyl)-L-alanine ethyl ester are: (1)ACD/LogP: 0.34; (2)ACD/LogD (pH 5.5): 0.34; (3)ACD/LogD (pH 7.4): 0.34; (4)ACD/BCF (pH 5.5): 1.07; (5)ACD/BCF (pH 7.4): 1.07; (6)ACD/KOC (pH 5.5): 36.48; (7)ACD/KOC (pH 7.4): 36.48; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 55.4Å²; (12)Index of Refraction: 1.435; (13)Molar Refractivity: 44.46 cm³; (14)Molar Volume: 170.3 cm³; (15)Polarizability: 17.62x10^-24cm³; (16)Surface Tension: 32.1 dyne/cm; (17)Enthalpy of Vaporization: 52.14 kJ/mol; (18)Boiling Point: 282.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00334 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC(=O)N[C@@H](C)C(=O)OCC
(2)InChI: InChI=1/C8H15NO3/c1-4-7(10)9-6(3)8(11)12-5-2/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
(3)InChIKey: KMYYPWYYUOGPAB-LURJTMIEBD
(4)Std. InChI: InChI=1S/C8H15NO3/c1-4-7(10)9-6(3)8(11)12-5-2/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
(5)Std. InChIKey: KMYYPWYYUOGPAB-LURJTMIESA-N

Product Name

(S)-ethyl 2-propionamidopropanoate

N-(1-Oxopropyl)-L-alanine ethyl ester Specification

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