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CAS No.: | 2867-20-1 |
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Name: | DL-ALANYL-DL-ALANINE |
Molecular Structure: | |
Formula: | C6H12N2O3 |
Molecular Weight: | 160.173 |
Synonyms: | Alanine,N-DL-alanyl-, DL- (8CI);DL-Alanyl-DL-alanine;Alanine, N-alanyl-;DL-a-Alanine-DL-a-alanine;DL-a-Alanyl-DL-a-alanine;N-DL-Alanyl-DL-alanine;NSC 89654; |
EINECS: | 220-687-2 |
Density: | 1.208 g/cm3 |
Melting Point: | 268-270 °C |
Boiling Point: | 402.6 °C at 760 mmHg |
Flash Point: | 197.3 °C |
Appearance: | White powder |
Safety: | 24/25 |
PSA: | 92.42000 |
LogP: | 0.01410 |
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The Alanine, alanyl- is an organic compound with the formula C6H12N2O3. The IUPAC name of this chemical is 2-(2-aminopropanoylamino)propanoic acid. With the CAS registry number 2867-20-1, it is also named as Alanylalanine. The product's categories are Amino Acids; Peptide Synthesis; Biochemistry; Oligopeptides; Dipeptides; Dipeptides and Tripeptides; Peptides. Besides, it should be stored in a clsoed cool and dry place at temperature of -20 °C.
Physical properties about Alanine, alanyl- are: (1)ACD/LogP: -1.16; (2)ACD/LogD (pH 5.5): -3.66; (3)ACD/LogD (pH 7.4): -3.73; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 49.85 Å2; (12)Index of Refraction: 1.492; (13)Molar Refractivity: 38.48 cm3; (14)Molar Volume: 132.5 cm3; (15)Polarizability: 15.25×10-24cm3; (16)Surface Tension: 48.2 dyne/cm; (17)Density: 1.208 g/cm3; (18)Flash Point: 197.3 °C; (19)Enthalpy of Vaporization: 71.75 kJ/mol; (20)Boiling Point: 402.6 °C at 760 mmHg; (21)Vapour Pressure: 1.31E-07 mmHg at 25°C.
Uses of Alanine, alanyl-: it can be used to produce 3,6-dimethyl-piperazine-2,5-dione at temperature of 220 - 230 °C. It will need reagent diphenylamine.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(C(=O)O)C)C(N)C
(2)InChI: InChI=1/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-UHFFFAOYAT
(4)Std. 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)
(5)Std. InChIKey: DEFJQIDDEAULHB-UHFFFAOYSA-N