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Glycinamide,N-[(phenylmethoxy)carbonyl]glycyl-

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Name

Glycinamide,N-[(phenylmethoxy)carbonyl]glycyl-

EINECS N/A
CAS No. 6422-35-1 Density 1.279 g/cm3
PSA 110.52000 LogP 0.99640
Solubility N/A Melting Point 170-172 °C
Formula C12H15N3O4 Boiling Point 608.4 °C at 760 mmHg
Molecular Weight 265.269 Flash Point 321.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6422-35-1 (Z-GLY-GLY-NH2) Hazard Symbols N/A
Synonyms

Carbamicacid, [[(carbamoylmethyl)carbamoyl]methyl]-, benzyl ester (7CI,8CI);Glycinamide, N-carboxyglycyl-, benzyl ester (8CI);N-Benzyloxycarbonylglycylglycinamide;NSC 169167;

Article Data 5

Glycinamide,N-[(phenylmethoxy)carbonyl]glycyl- Specification

The Glycinamide,N-[(phenylmethoxy)carbonyl]glycyl-, with the CAS registry number 6422-35-1, is also known as ZINC01678293. This chemical's molecular formula is C12H15N3O4 and molecular weight is 265.106256. Its IUPAC name is called benzyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate.

Physical properties of Glycinamide,N-[(phenylmethoxy)carbonyl]glycyl-: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): 0.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.48; (8)ACD/KOC (pH 7.4): 26.46; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 66.89 cm3; (14)Molar Volume: 207.3 cm3; (15)Surface Tension: 54.3 dyne/cm; (16)Density: 1.279 g/cm3; (17)Flash Point: 321.7 °C; (18)Enthalpy of Vaporization: 90.39 kJ/mol; (19)Boiling Point: 608.4 °C at 760 mmHg; (20)Vapour Pressure: 9.56E-15 mmHg at 25°C.

Preparation: this chemical can be prepared by N-(N-benzyloxycarbonyl-glycyl)-glycine. This reaction will need reagent pyridine, Boc2O, ammonium hydrogencarbonate and solvent dioxane. The reaction time is 4-16 h. The yield is about 50%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCC(=O)NCC(=O)N
(2)InChI: InChI=1S/C12H15N3O4/c13-10(16)6-14-11(17)7-15-12(18)19-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,13,16)(H,14,17)(H,15,18)
(3)InChIKey: DAJXGDMBDLXAAP-UHFFFAOYSA-N

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