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Ac-Gly-Gly-OH

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Name

Ac-Gly-Gly-OH

EINECS N/A
CAS No. 5687-48-9 Density 1.298 g/cm3
PSA 95.50000 LogP -0.89490
Solubility N/A Melting Point 178-179℃
Formula C6H10N2O4 Boiling Point 599.6 °C at 760 mmHg
Molecular Weight 174.156 Flash Point 316.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5687-48-9 (Ac-Gly-Gly-OH) Hazard Symbols N/A
Synonyms

Glycine,N-(N-acetylglycyl)- (7CI,8CI);Glycine, N-aceturoyl- (6CI);Acetylglycylglycine;N-Acetyldiglycine;N-Acetylglycylglycine;NSC 134463;Ac-Gly-Gly-OH;

Article Data 10

Ac-Gly-Gly-OH 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

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