ChemSpider 2D Image | N-[(3S,4S)-4-Ethoxy-1-methyl-3-pyrrolidinyl]-4-(1H-tetrazol-1-yl)butanamide | C12H22N6O2

N-[(3S,4S)-4-Ethoxy-1-methyl-3-pyrrolidinyl]-4-(1H-tetrazol-1-yl)butanamide

  • Molecular FormulaC12H22N6O2
  • Average mass282.342 Da
  • Monoisotopic mass282.180420 Da
  • ChemSpider ID58851365

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Tetrazole-1-butanamide, N-[(3S,4S)-4-ethoxy-1-methyl-3-pyrrolidinyl]- [ACD/Index Name]
N-[(3S,4S)-4-Ethoxy-1-methyl-3-pyrrolidinyl]-4-(1H-tetrazol-1-yl)butanamid [German] [ACD/IUPAC Name]
N-[(3S,4S)-4-Ethoxy-1-methyl-3-pyrrolidinyl]-4-(1H-tetrazol-1-yl)butanamide [ACD/IUPAC Name]
N-[(3S,4S)-4-Éthoxy-1-méthyl-3-pyrrolidinyl]-4-(1H-tétrazol-1-yl)butanamide [French] [ACD/IUPAC Name]
N-[rac-(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-4-(1H-tetrazol-1-yl)butanamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 74.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -3.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.90
Polar Surface Area: 85 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 211.3±7.0 cm3

Click to predict properties on the Chemicalize site


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