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Acetamide,N,N'-(phenylmethylene)bis-

  • Name Acetamide,N,N'-(phenylmethylene)bis-
  • EINECSN/A
  • CAS No. 6907-68-2
  • Density1.118 g/cm3
  • PSA58.20000
  • LogP1.73920
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC11H14N2O2
  • Boiling Point510.3 °C at 760 mmHg
  • Molecular Weight206.244
  • Flash Point225 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 6907-68-2 (N-(acetamido-phenyl-methyl)acetamide)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data41

Acetamide,N,N'-(phenylmethylene)bis- Specification

The Acetamide,N,N'-(phenylmethylene)bis-, with the CAS registry number 6907-68-2, has the systematic name of N,N'-(phenylmethanediyl)diacetamide. And the molecular formula of this chemical is C11H14N2O2. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Acetamide,N,N'-(phenylmethylene)bis- are as following: (1)ACD/LogP: -0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.17; (4)ACD/LogD (pH 7.4): -0.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.27; (8)ACD/KOC (pH 7.4): 19.27; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 56.95 cm3; (15)Molar Volume: 184.3 cm3; (16)Polarizability: 22.57×10-24cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.118 g/cm3; (19)Flash Point: 225 °C; (20)Enthalpy of Vaporization: 78.11 kJ/mol; (21)Boiling Point: 510.3 °C at 760 mmHg; (22)Vapour Pressure: 1.57E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(NC(=O)C)c1ccccc1)C
(2)InChI: InChI=1/C11H14N2O2/c1-8(14)12-11(13-9(2)15)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,12,14)(H,13,15)
(3)InChIKey: JFUUKHUKGAQKIW-UHFFFAOYAG

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1268mg/kg (1268mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS Journal of Medicinal Chemistry. Vol. 10, Pg. 946, 1967.

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