ChemSpider 2D Image | 1-{3-[(Dimethylamino)methyl]-3-hydroxy-1-pyrrolidinyl}-4-(1H-tetrazol-1-yl)-1-butanone | C12H22N6O2

1-{3-[(Dimethylamino)methyl]-3-hydroxy-1-pyrrolidinyl}-4-(1H-tetrazol-1-yl)-1-butanone

  • Molecular FormulaC12H22N6O2
  • Average mass282.342 Da
  • Monoisotopic mass282.180420 Da
  • ChemSpider ID29725283

More details:






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

1-{3-[(Dimethylamino)methyl]-3-hydroxy-1-pyrrolidinyl}-4-(1H-tetrazol-1-yl)-1-butanon [German] [ACD/IUPAC Name]
1-{3-[(Dimethylamino)methyl]-3-hydroxy-1-pyrrolidinyl}-4-(1H-tetrazol-1-yl)-1-butanone [ACD/IUPAC Name]
1-{3-[(Diméthylamino)méthyl]-3-hydroxy-1-pyrrolidinyl}-4-(1H-tétrazol-1-yl)-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[3-[(dimethylamino)methyl]-3-hydroxy-1-pyrrolidinyl]-4-(1H-tetrazol-1-yl)- [ACD/Index Name]
3-[(dimethylamino)methyl]-1-[4-(1H-tetrazol-1-yl)butanoyl]-3-pyrrolidinol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 494.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 252.7±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 75.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.60
ACD/LogD (pH 5.5): -4.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 213.5±7.0 cm3

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