Name: DL-Alanyl-L-alanine
SKU: 59247-16-4

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Basic Information

Molecular Structure:
CAS No.:	59247-16-4
Name:	DL-Alanyl-L-alanine

Formula:	C₆H₁₂N₂O₃
Molecular Weight:	160.173
Synonyms:	Alanyl-L-alanine;(2S)-2-(2-Aminopropanoylamino)propanoic acid;
Density:	1.208 g/cm³
Boiling Point:	402.648 °C at 760 mmHg
Flash Point:	197.315 °C
Solubility:	almost transparency
PSA:	92.42000
LogP:	0.01410

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Specification

The DL-Alanyl-L-alanine, with the CAS registry number 59247-16-4, is also known as Alanyl-L-alanine. It belongs to the product categories of Biochemistry; Oligopeptides; Peptide Synthesis. This chemical's molecular formula is C₆H₁₂N₂O₃ and molecular weight is 160.17. What's more, its systematic name is (2S)-2-(2-Aminopropanoylamino)propanoic acid. It should be sealed and stored in a cool and dry place and be protected from water.

Physical properties of DL-Alanyl-L-alanine are: (1)# of Rule of 5 Violations: 0; (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: 4; (9)Polar Surface Area: 92.42 Å²; (10)Index of Refraction: 1.492; (11)Molar Refractivity: 38.488 cm³; (12)Molar Volume: 132.568 cm³; (13)Polarizability: 15.258×10^-24 cm³; (14)Surface Tension: 48.3 dyne/cm; (15)Density: 1.208 g/cm³; (16)Flash Point: 197.315 °C; (17)Enthalpy of Vaporization: 71.749 kJ/mol; (18)Boiling Point: 402.648 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@H](C(=O)O)NC(=O)C(C)N
(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)/t3?,4-/m0/s1
(3)InChIKey: DEFJQIDDEAULHB-BKLSDQPFBB