ChemSpider 2D Image | (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl N,N'-bis(2-bromoethyl)phosphorodiamidate | C9H16Br2N5O4P

(1-Methyl-5-nitro-1H-imidazol-2-yl)methyl N,N'-bis(2-bromoethyl)phosphorodiamidate

  • Molecular FormulaC9H16Br2N5O4P
  • Average mass449.036 Da
  • Monoisotopic mass446.930664 Da
  • ChemSpider ID23317413

More details:

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

(1-Methyl-5-nitro-1H-imidazol-2-yl)methyl N,N'-bis(2-bromoethyl)phosphorodiamidate [ACD/IUPAC Name]
(1-Methyl-5-nitro-1H-imidazol-2-yl)methyl-N,N'-bis(2-bromethyl)phosphorodiamidat [German] [ACD/IUPAC Name]
N,N'-Bis(2-bromoéthyl)phosphorodiamidate de (1-méthyl-5-nitro-1H-imidazol-2-yl)méthyle [French] [ACD/IUPAC Name]
Phosphorodiamidic acid, N,N'-bis(2-bromoethyl)-, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester [ACD/Index Name]
1-Methyl-5-nitro-1H-imidazol-2-yl)methyl N,N-bis(2-bromoethyl)phosphordiamidate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL403718/
PHOSPHORODIAMIDIC ACID, N,N'-BIS(2-BROMOETHYL)-,(1-METHYL-5-NITRO-1H-IMIDAZOL-2-YL)METHYL ESTER

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

Density: 2.0±0.1 g/cm3
Boiling Point: 548.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.6±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 84.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.79
ACD/KOC (pH 5.5): 52.74
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.79
ACD/KOC (pH 7.4): 52.75
Polar Surface Area: 124 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 71.5±7.0 dyne/cm
Molar Volume: 227.8±7.0 cm3

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