Ethanediamide, N,N'-bis(phenylmethyl)- supplier

Name
Ethanediamide, N,N'-bis(phenylmethyl)-
EINECS
CAS No. 3551-78-8
Article Data20
CAS DataBase
Density 1.177 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₆N₂O₂
Boiling Point
Molecular Weight 268.315
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 97802;Ethanediamide,N,N'-bis(phenylmethyl)- (9CI);Oxamide, N,N'-dibenzyl- (6CI,7CI,8CI);N,N'-Dibenzyloxamide;NSC 117519;NSC 314;N,N'-Dibenzylethanediamide;N-Benzyl-N'-benzylethane-1,2-diamide;
PSA
LogP

Ethanediamide, N,N'-bis(phenylmethyl)- Specification

The Ethanediamide, N,N'-bis(phenylmethyl)-, with the CAS registry number 3551-78-8, is also known as N-Benzyl-N'-benzylethane-1,2-diamide. This chemical's molecular formula is C₁₆H₁₆N₂O₂ and molecular weight is 268.31. What's more, its systematic name is N,N'-dibenzylethanediamide.

Physical properties of Ethanediamide, N,N'-bis(phenylmethyl)- are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/BCF (pH 5.5): 30.75; (5)ACD/KOC (pH 5.5): 404.18; (6)ACD/KOC (pH 7.4): 404.16; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 40.62 Å²; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 76.8 cm³; (13)Molar Volume: 227.8 cm³; (14)Surface Tension: 48.6 dyne/cm; (15)Density: 1.177 g/cm³.

Preparation: this chemical can be prepared by N,N'-dibenzyl-thiooxalamide at the temperature of -35 °C. This reaction will need reagent 2-nitrobenzene sulfonyl chloride, potassium superoxide and solvent acetonitrile with the reaction time of 7 hours. The yield is about 92%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(=O)NCc1ccccc1)NCc2ccccc2
(2)InChI: InChI=1S/C16H16N2O2/c19-15(17-11-13-7-3-1-4-8-13)16(20)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)
(3)InChIKey: AOIKOYRULAZZLJ-UHFFFAOYSA-N

Product Name

Ethanediamide, N,N'-bis(phenylmethyl)-

Ethanediamide, N,N'-bis(phenylmethyl)- Specification

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