ChemSpider 2D Image | (2,2-Dichloro-1-methylcyclopropyl)[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone | C14H18Cl2N4O

(2,2-Dichloro-1-methylcyclopropyl)[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone

  • Molecular FormulaC14H18Cl2N4O
  • Average mass329.225 Da
  • Monoisotopic mass328.085754 Da
  • ChemSpider ID30213325

More details:

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

(2,2-Dichlor-1-methylcyclopropyl)[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanon [German] [ACD/IUPAC Name]
(2,2-Dichloro-1-methylcyclopropyl)[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone [ACD/IUPAC Name]
(2,2-Dichloro-1-méthylcyclopropyl)[4-(2-pyrimidinyl)-1,4-diazépan-1-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, (2,2-dichloro-1-methylcyclopropyl)[hexahydro-4-(2-pyrimidinyl)-1H-1,4-diazepin-1-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 525.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.7±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 82.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 19.44
ACD/KOC (pH 5.5): 270.54
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 25.06
ACD/KOC (pH 7.4): 348.81
Polar Surface Area: 49 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 236.0±5.0 cm3

Click to predict properties on the Chemicalize site


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