Found 1 result

Search term: C13H18N2O (Found by synonym)

ChemSpider 2D Image | 1-Benzyl-7-methyl-1,4-diazepan-5-one | C13H18N2O

1-Benzyl-7-methyl-1,4-diazepan-5-one

  • Molecular FormulaC13H18N2O
  • Average mass218.295 Da
  • Monoisotopic mass218.141907 Da
  • ChemSpider ID57392808

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Benzyl-7-methyl-1,4-diazepan-5-on [German] [ACD/IUPAC Name]
1-Benzyl-7-methyl-1,4-diazepan-5-one [ACD/IUPAC Name]
1-Benzyl-7-méthyl-1,4-diazépan-5-one [French] [ACD/IUPAC Name]
5H-1,4-Diazepin-5-one, hexahydro-7-methyl-1-(phenylmethyl)- [ACD/Index Name]
1260424-02-9 [RN]
C13H18N2O
MFCD29921972

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 382.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 185.2±25.9 °C
Index of Refraction: 1.533
Molar Refractivity: 64.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 33.77
Polar Surface Area: 32 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 206.1±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement