DL-ALANYL-GLYCINE

The Glycine, alanyl-, with its CAS registry number 1188-01-8, has the systematic name of alanylglycine. And it has the molecular formula of C₅H₁₀N₂O₃ and the molecular weight of 146.14. When store it, you should keep it sealed in the dry and well-ventilated place at -15 °C, and this chemical will not decompose if follow the using and storage specifications.

The characteristics of Glycine, alanyl- are as follows: (1)ACD/LogP: -1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.85 Ų; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 33.89 cm³; (15)Molar Volume: 115.6 cm³; (16)Polarizability: 13.43×10^-24cm³; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.263 g/cm³; (19)Flash Point: 206.2 °C; (20)Enthalpy of Vaporization: 73.58 kJ/mol; (21)Boiling Point: 417.4 °C at 760 mmHg; (22)Vapour Pressure: 3.9E-08 mmHg at 25°C.

Use of this chemical: Glycine, alanyl- could react with ethanol to produce (2-amino-propionylamino)-acetic acid ethyl ester; hydrochloride, and this reaction could happen in the reagent of thionyl chloride in the condition of heating for 4 hours.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O=C(NCC(=O)O)C(N)C
(2)InChI:InChI=1/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9) 
(3)InChIKey:CXISPYVYMQWFLE-UHFFFAOYAS
(4)Std. InChI:InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)
(5)Std. InChIKey:CXISPYVYMQWFLE-UHFFFAOYSA-N