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6422-36-2

Basic Information
CAS No.: 6422-36-2
Name: H-PRO-ALA-OH
Article Data: 5
Molecular Structure:
Molecular Structure of 6422-36-2 (H-PRO-ALA-OH)
Formula: C8H14N2O3
Molecular Weight: 186.211
Synonyms: Alanine,N-L-prolyl-, L- (8CI);L-Alanine, N-L-prolyl-;108: PN: WO2006024694 SEQID: 108claimed protein;L-Prolyl-L-alanine;NSC 97933;
Density: 1.218 g/cm3
Melting Point: 232 °C
Boiling Point: 454.2 °C at 760 mmHg
Flash Point: 228.5 °C
PSA: 78.43000
LogP: 0.04740
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Specification

The L-Alanine, L-prolyl-, with the CAS registry number 6422-36-2, is also known as Alanine, prolyl-. This chemical's molecular formula is C8H14N2O3 and molecular weight is 186.20836. Its IUPAC name is called 2-(pyrrolidine-2-carbonylamino)propanoic acid.

Physical properties of L-Alanine, L-prolyl-: (1)ACD/LogP: -1.18; (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: 3; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.505; (10)Molar Refractivity: 45.38 cm3; (11)Molar Volume: 152.8 cm3; (12)Surface Tension: 47.2 dyne/cm; (13)Density: 1.218 g/cm3; (14)Flash Point: 228.5 °C; (15)Enthalpy of Vaporization: 78.22 kJ/mol; (16)Boiling Point: 454.2 °C at 760 mmHg; (17)Vapour Pressure: 1.64E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(=O)O)NC(=O)C1CCCN1
(2)InChI: InChI=1S/C8H14N2O3/c1-5(8(12)13)10-7(11)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)
(3)InChIKey: FELJDCNGZFDUNR-UHFFFAOYSA-N