CAS No.1188-01-8,DL-ALANYL-GLYCINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1188-01-8
Name:	DL-ALANYL-GLYCINE
Article Data:	26

Formula:	C₅H₁₀N₂O₃
Molecular Weight:	146.146
Synonyms:	Glycine,N-(b-aminopropionyl)- (4CI);Glycine,N-DL-alanyl- (7CI,8CI);(RS)-Alanylglycine;DL-Alanylglycine;DL-N-Alanylglycine;
EINECS:	211-699-9
Density:	1.263 g/cm³
Melting Point:	225 °C
Boiling Point:	417.4 °C at 760 mmHg
Flash Point:	206.2 °C
Solubility:	almost transparency
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	92.42000
LogP:	-0.37440

Total:24 Page 1 of 1 1

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Specification

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 Å²; (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