CAS No.5687-48-9,Ac-Gly-Gly-OH Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5687-48-9
Name:	Ac-Gly-Gly-OH
Article Data:	10

Formula:	C₆H₁₀N₂O₄
Molecular Weight:	174.156
Synonyms:	Glycine,N-(N-acetylglycyl)- (7CI,8CI);Glycine, N-aceturoyl- (6CI);Acetylglycylglycine;N-Acetyldiglycine;N-Acetylglycylglycine;NSC 134463;Ac-Gly-Gly-OH;
Density:	1.298 g/cm³
Melting Point:	178-179℃
Boiling Point:	599.6 °C at 760 mmHg
Flash Point:	316.4 °C
PSA:	95.50000
LogP:	-0.89490

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Specification

The CAS register number of Ac-Gly-Gly-OH is 5687-48-9. It also can be called as (2-Acetylamino-acetylamino)-acetic acid and the systematic name about this chemical is N-acetylglycylglycine. The molecular formula about this chemical is C₆H₁₀N₂O₄ and the molecular weight is 174.15. It belongs to the Amino Acid Derivatives.

Physical properties about Ac-Gly-Gly-OH are: (1)ACD/LogP: -1.60; (2)ACD/LogD (pH 5.5): -3.86; (3)ACD/LogD (pH 7.4): -5.21; (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: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 66.92Å²; (12)Index of Refraction: 1.488; (13)Molar Refractivity: 38.65 cm³; (14)Molar Volume: 134 cm³; (15)Polarizability: 15.32x10^-24cm³; (16)Surface Tension: 51.2 dyne/cm; (17)Enthalpy of Vaporization: 97.48 kJ/mol; (18)Boiling Point: 599.6 °C at 760 mmHg; (19)Vapour Pressure: 6.34E-16 mmHg at 25°C.

Uses of Ac-Gly-Gly-OH: it can be used to produce 2-[2-(2-acetylamino-acetylamino)-acetylamino]-3-benzylsulfanyl-N-({[(2-benzylsulfanyl-1-{[(carbamoylmethyl-carbamoyl)-methyl]-carbamoyl}-ethylcarbamoyl)-methyl]-carbamoyl}-methyl)-proπonamide with C₂₈H₃₇N₇O₆S₂*BrH at temperature of -10 °C. This reaction will need reagent isobutyl chloroformate, triethylamine and solvent dimethylformamide with reaction time of 1 hours. The yield is about 70%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCC(=O)O)CNC(=O)C
(2)InChI: InChI=1/C6H10N2O4/c1-4(9)7-2-5(10)8-3-6(11)12/h2-3H2,1H3,(H,7,9)(H,8,10)(H,11,12)
(3)InChIKey: ZCASHLUDUSAKNN-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H10N2O4/c1-4(9)7-2-5(10)8-3-6(11)12/h2-3H2,1H3,(H,7,9)(H,8,10)(H,11,12)
(5)Std. InChIKey: ZCASHLUDUSAKNN-UHFFFAOYSA-N