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CAS No.: | 3695-80-5 |
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Name: | H-ALA-D-ALA-OH |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C6H12N2O3 |
Molecular Weight: | 160.173 |
Synonyms: | Alanine,N-L-alanyl-, D- (8CI);D-Alanine, N-L-alanyl-;Alanyl-D-alanine;L-Alanyl-D-alanine;NSC 186898; |
EINECS: | 220-687-2 |
Density: | 1.208 g/cm3 |
Melting Point: | 269-270 °C |
Boiling Point: | 402.6 °C at 760 mmHg |
Flash Point: | 197.3 °C |
PSA: | 92.42000 |
LogP: | 0.01410 |
The D-Alanine, L-alanyl-, with the CAS registry number 3695-80-5, is also known as DL-Alanyl-DL-alanine. This chemical's molecular formula is C6H12N2O3 and molecular weight is 160.17. Its IUPAC name is called 2-(2-aminopropanoylamino)propanoic acid.
Physical properties of D-Alanine, L-alanyl-: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 4; (8)Index of Refraction: 1.492; (9)Molar Refractivity: 38.48 cm3; (10)Molar Volume: 132.5 cm3; (11)Surface Tension: 48.2 dyne/cm; (12)Density: 1.208 g/cm3; (13)Flash Point: 197.3 °C; (14)Enthalpy of Vaporization: 71.75 kJ/mol; (15)Boiling Point: 402.6 °C at 760 mmHg; (16)Vapour Pressure: 1.31E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(=O)NC(C)C(=O)O)N
(2)InChI: InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)
(3)InChIKey: DEFJQIDDEAULHB-UHFFFAOYSA-N