ChemicalBook--->CAS DataBase List--->59875-04-6

59875-04-6

59875-04-6 Structure

59875-04-6 Structure
IdentificationBack Directory
[Name]

2-Butyrylaminopropinicacid
[CAS]

59875-04-6
[Synonyms]

N-(1-Oxobutyl)alanine
Alanine,N-(1-oxobutyl)-
Alanin, N-(1-oxobutyl)-
N-(1-Oxobutyl)-DL-alanine
2-Butyramidopropanoic acid
2-Butyrylaminopropinicacid
DL-Alanine, N-(1-oxobutyl)-
(S)-2-Butyramidopropanoic acid
2-((Butanoyl)amino)propanoic acid
[EINECS(EC#)]

611-909-2
[Molecular Formula]

C7H13NO3
[MDL Number]

MFCD08458732
[MOL File]

59875-04-6.mol
[Molecular Weight]

159.18
Chemical PropertiesBack Directory
[Melting point ]

>186°C (dec.)
[Boiling point ]

371.8±25.0 °C(Predicted)
[density ]

1.097
[vapor pressure ]

0.001-0.478Pa at 20-86.55℃
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[solubility ]

DMSO, Methanol
[form ]

Solid
[pka]

3.69±0.10(Predicted)
[color ]

White
[InChI]

InChI=1S/C7H13NO3/c1-3-4-6(9)8-5(2)7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t5-/m0/s1
[InChIKey]

DTIMTCJMOWXMGT-YFKPBYRVSA-N
[SMILES]

C(O)(=O)[C@H](C)NC(=O)CCC
[Surface tension]

71.9mN/m at 1g/L and 20℃
Hazard InformationBack Directory
[Uses]

N-(1-Oxobutyl)-DL-alanine is a reactant used to prepare Vardenafil (V098001, 2HCl salt) which is a selective phosphodiesterase type 5 (PDE5) inhibitor.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Butyrylaminopropinicacid(59875-04-6)1HNMR
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