ChemSpider 2D Image | (1R,5R)-N,N-Dimethyl-6-(1H-tetrazol-1-ylacetyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide | C13H21N7O2

(1R,5R)-N,N-Dimethyl-6-(1H-tetrazol-1-ylacetyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

  • Molecular FormulaC13H21N7O2
  • Average mass307.352 Da
  • Monoisotopic mass307.175659 Da
  • ChemSpider ID29646172

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-N,N-Dimethyl-6-(1H-tetrazol-1-ylacetyl)-3,6-diazabicyclo[3.2.2]nonan-3-carboxamid [German] [ACD/IUPAC Name]
(1R,5R)-N,N-Dimethyl-6-(1H-tetrazol-1-ylacetyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide [ACD/IUPAC Name]
(1R,5R)-N,N-Diméthyl-6-[2-(1H-tétrazol-1-yl)acétyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide [French] [ACD/IUPAC Name]
3,6-Diazabicyclo[3.2.2]nonane-3-carboxamide, N,N-dimethyl-6-[2-(1H-tetrazol-1-yl)acetyl]-, (1R,5R)- [ACD/Index Name]
(1R*,5R*)-N,N-dimethyl-6-(1H-tetrazol-1-ylacetyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 551.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.3±32.9 °C
Index of Refraction: 1.715
Molar Refractivity: 81.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.98
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.98
Polar Surface Area: 87 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 63.9±7.0 dyne/cm
Molar Volume: 206.5±7.0 cm3

Click to predict properties on the Chemicalize site


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