Found 1875 results

Search term: MF = 'C_{13}H_{19}BrN_{2}O_{3}'
ChemSpider 2D Image | 2-(Isopropylamino)-2-oxoethyl 4-bromo-1-isopropyl-1H-pyrrole-2-carboxylate | C13H19BrN2O3

2-(Isopropylamino)-2-oxoethyl 4-bromo-1-isopropyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC13H19BrN2O3
  • Average mass331.206 Da
  • Monoisotopic mass330.057892 Da
  • ChemSpider ID30262494

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-bromo-1-(1-methylethyl)-, 2-[(1-methylethyl)amino]-2-oxoethyl ester [ACD/Index Name]
2-(Isopropylamino)-2-oxoethyl 4-bromo-1-isopropyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
2-(Isopropylamino)-2-oxoethyl-4-brom-1-isopropyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
4-Bromo-1-isopropyl-1H-pyrrole-2-carboxylate de 2-(isopropylamino)-2-oxoéthyle [French] [ACD/IUPAC Name]
(ISOPROPYLCARBAMOYL)METHYL 4-BROMO-1-ISOPROPYLPYRROLE-2-CARBOXYLATE
[(PROPAN-2-YL)CARBAMOYL]METHYL 4-BROMO-1-(PROPAN-2-YL)-1H-PYRROLE-2-CARBOXYLATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 479.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 243.7±25.9 °C
Index of Refraction: 1.556
Molar Refractivity: 76.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.51
ACD/KOC (pH 5.5): 656.22
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.51
ACD/KOC (pH 7.4): 656.22
Polar Surface Area: 60 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 39.5±7.0 dyne/cm
Molar Volume: 239.1±7.0 cm3

Click to predict properties on the Chemicalize site


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