CAS No.1948-31-8,L-Alanyl-L-alanine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1948-31-8
Name:	L-Alanyl-L-alanine
Article Data:	57

Formula:	C₆H₁₂N₂O₃
Molecular Weight:	160.173
Synonyms:	L-Alanine, N-L-alanyl-;Di-L-alanine;Dialanine;L-Alanyl-L-alanine;
EINECS:	220-687-2
Density:	1.208 g/cm³
Melting Point:	280-285 °C(lit.)
Boiling Point:	402.6 °C at 760 mmHg
Flash Point:	197.3 °C
Solubility:	H₂O: 0.1 g/mL, clear
Appearance:	white crystalline powder
Safety:	24/25
PSA:	92.42000
LogP:	0.01410

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Specification

The L-Alanine, L-alanyl-, with the CAS registry number 1948-31-8, is also known as N-L-Alanyl-L-alanine. It belongs to the product category of Amino Acid Derivatives. Its EINECS registry number is 217-751-7. This chemical's molecular formula is C₆H₁₂N₂O₃ and molecular weight is 160.17. Its IUPAC name is called (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid. When you are using this chemical, please be cautious about it. You must avoid contacting it with skin and eyes. What's more, the product should be sealed at temperature of -15 °C.

Physical properties of L-Alanine, L-alanyl-: (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)Index of Refraction: 1.492; (12)Molar Refractivity: 38.48 cm³; (13)Molar Volume: 132.5 cm³; (14)Surface Tension: 48.2 dyne/cm; (15)Density: 1.208 g/cm³; (16)Flash Point: 197.3 °C; (17)Enthalpy of Vaporization: 71.75 kJ/mol; (18)Boiling Point: 402.6 °C at 760 mmHg; (19)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)Isomeric SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)O)N
(3)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)/t3-,4-/m0/s1
(4)InChIKey: DEFJQIDDEAULHB-IMJSIDKUSA-N