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15106-57-7

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Basic Information
CAS No.: 15106-57-7
Name: Butanoic acid,2-amino-4-oxo-
Article Data: 7
Molecular Structure:
Molecular Structure of 15106-57-7 (Butanoic acid,2-amino-4-oxo-)
Formula: C4H7NO3
Molecular Weight: 117.104
Synonyms: Butanoicacid, 2-amino-4-oxo-, (?à)-;Succinaldehydic acid, 2-amino-, DL- (8CI);DL-Aspartic-b-semialdehyde;b-Aspartaldehydic acid;b-Aspartic semialdehyde;
Density: 1.293 g/cm3
Boiling Point: 291.9 °C at 760 mmHg
Flash Point: 130.4 °C
PSA: 80.39000
LogP: -0.31240
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Specification

The Butanoic acid,2-amino-4-oxo-, with the CAS registry number 15106-57-7, is also known as 2-Amino-4-oxobutanoic acid. This chemical's molecular formula is C4H7NO3 and molecular weight is 117.10328. Its IUPAC name is called (2S)-2-azaniumyl-4-oxobutanoate.

Physical properties of Butanoic acid,2-amino-4-oxo-: (1)ACD/LogP: -0.43; (2)ACD/LogD (pH 5.5): -2.92; (3)ACD/LogD (pH 7.4): -2.99; (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): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.482; (12)Molar Refractivity: 25.82 cm3; (13)Molar Volume: 90.5 cm3; (14)Surface Tension: 56.5 dyne/cm; (15)Density: 1.293 g/cm3; (16)Flash Point: 130.4 °C; (17)Enthalpy of Vaporization: 58.47 kJ/mol; (18)Boiling Point: 291.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000468 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C=O)C(C(=O)[O-])[NH3+]
(2)Isomeric SMILES: C(C=O)[C@@H](C(=O)[O-])[NH3+]
(3)InChI: InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1
(4)InChIKey: HOSWPDPVFBCLSY-VKHMYHEASA-N