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30806-09-8

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Basic Information
CAS No.: 30806-09-8
Name: H-LEU-BETA-ALA-OH
Article Data: 3
Molecular Structure:
Molecular Structure of 30806-09-8 (H-LEU-BETA-ALA-OH)
Formula: C9H18N2O3
Molecular Weight: 202.254
Synonyms: b-Alanine, N-L-leucyl- (8CI);L-Leucyl-b-alanine;NSC 343020;H-Leu-β-Ala-OH;
Density: 1.11 g/cm3
Boiling Point: 423.3 °C at 760 mmHg
Flash Point: 209.8 °C
PSA: 92.42000
LogP: 1.04190
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Specification

The beta-Alanine, L-leucyl-, with the CAS registry number 30806-09-8, is also known as NSC343020. This chemical's molecular formula is C9H18N2O3 and molecular weight is 202.131742. Its IUPAC name is called 3-[(2-amino-4-methylpentanoyl)amino]propanoic acid. 

Physical properties of beta-Alanine, L-leucyl-: (1)ACD/LogP: -0.23; (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: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 7; (9)Index of Refraction: 1.487; (10)Molar Refractivity: 52.38 cm3; (11)Molar Volume: 182 cm3; (12)Surface Tension: 43.9 dyne/cm; (13)Density: 1.11 g/cm3; (14)Flash Point: 209.8 °C; (15)Enthalpy of Vaporization: 74.32 kJ/mol; (16)Boiling Point: 423.3 °C at 760 mmHg; (17)Vapour Pressure: 2.38E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CC(C(=O)NCCC(=O)O)N
(2)InChI: InChI=1S/C9H18N2O3/c1-6(2)5-7(10)9(14)11-4-3-8(12)13/h6-7H,3-5,10H2,1-2H3,(H,11,14)(H,12,13)
(3)InChIKey: CFXOQFNBROAEHM-UHFFFAOYSA-N