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2-Oxobutyl L-alaninate
[CAS# 736086-08-1]

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Identification
Name 2-Oxobutyl L-alaninate
Synonyms (S)-2-oxobutyl 2-aminopropanoate
Molecular Structure CAS#: 736086-08-1, 2-Oxobutyl L-alaninate
Molecular Formula C7H13NO3
Molecular Weight 159.18
CAS Registry Number 736086-08-1
SMILES CCC(=O)COC(=O)[C@H](C)N
InChI 1S/C7H13NO3/c1-3-6(9)4-11-7(10)5(2)8/h5H,3-4,8H2,1-2H3/t5-/m0/s1
InChIKey DSPSJDLTAJRYRP-YFKPBYRVSA-N
Properties
Density 1.07g/cm3 (Cal.)
Boiling point 229.601°C at 760 mmHg (Cal.)
Flash point 87.554°C (Cal.)
Refractive index 1.447 (Cal.)
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