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4439-83-2

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Basic Information
CAS No.: 4439-83-2
Name: Norvaline, 4-oxo- (9CI)
Article Data: 8
Molecular Structure:
Molecular Structure of 4439-83-2 (Norvaline, 4-oxo- (9CI))
Formula: C5H9NO3
Molecular Weight: 131.131
Synonyms: Levulinic acid, 2-amino- (7CI,8CI);2-Amino-4-ketopentanoicacid;2-Amino-4-oxopentanoic acid;a-Aminolevulinic acid;
Density: 1.227 g/cm3
Melting Point: 135-137 °C (decomp)
Boiling Point: 289.142 °C at 760 mmHg
Flash Point: 128.669 °C
PSA: 80.39000
LogP: 0.07770
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Specification

The Norvaline, 4-oxo-, with the CAS registry number 4439-83-2, is also known as 2-Amino-4-oxopentanoic acid. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C5H9NO3 and molecular weight is 131.12986. Its IUPAC name is called (2S)-2-amino-4-oxopentanoic acid.

Physical properties of Norvaline, 4-oxo-: (1)ACD/LogP: -0.72; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.479; (10)Molar Refractivity: 30.301 cm3; (11)Molar Volume: 106.869 cm3; (12)Surface Tension: 50.124 dyne/cm; (13)Density: 1.227 g/cm3; (14)Flash Point: 128.669 °C; (15)Enthalpy of Vaporization: 58.139 kJ/mol; (16)Boiling Point: 289.142 °C at 760 mmHg; (17)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CC(C(=O)O)N
(2)Isomeric SMILES: CC(=O)C[C@@H](C(=O)O)N
(3)InChI: InChI=1S/C5H9NO3/c1-3(7)2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
(4)InChIKey: QUCHWTCTBHQQDU-BYPYZUCNSA-N