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496-92-4

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Basic Information
CAS No.: 496-92-4
Name: 2-amino-5-oxo-pentanoic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 496-92-4 (2-amino-5-oxo-pentanoic acid)
Formula: C5H9NO3
Molecular Weight: 131.131
Synonyms: Glutaraldehydicacid, 2-amino- (6CI,7CI,8CI);Glutamic g-semialdehyde;gamma-Glutamyl semialdehyde;Glutamate gamma-semialdehyde;2-Amino-5-oxopentanoic acid;
Density: 1.224 g/cm3
Boiling Point: 308.9 °C at 760 mmHg
Flash Point: 140.6 °C
PSA: 80.39000
LogP: 0.07770
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Specification

The Norvaline, 5-oxo- with CAS registry number of 496-92-4 is also known as Glutamate gamma-semialdehyde. The systematic name is 2-Amino-5-oxopentanoic acid2-Amino-5-oxopentanoic acid. In addition, the formula is C5H9NO3 and the molecular weight is 131.13.

Physical properties about Norvaline, 5-oxo- are: (1) ACD/LogP: -0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.03; (4)ACD/LogD (pH 7.4): -3.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.48; (13)Molar Refractivity: 30.45 cm3; (14)Molar Volume: 107 cm3; (15)Surface Tension: 52.4 dyne/cm; (16)Density: 1.224 g/cm3; (17)Flash Point: 140.6 °C; (18)Enthalpy of Vaporization: 60.44 kJ/mol; (19)Boiling Point: 308.9 °C at 760 mmHg; (20)Vapour Pressure: 0.000148 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=CCCC(N)C(=O)O
2. InChI: InChI=1/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)
3. InChIKey: KABXUUFDPUOJMW-UHFFFAOYAT
4. Std. InChI: InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)
5. Std. InChIKey: KABXUUFDPUOJMW-UHFFFAOYSA-N