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ChemSpider 2D Image | Nicotine-3',3'-D2 | C10H12D2N2

Nicotine-3',3'-D2

  • Molecular FormulaC10H12D2N2
  • Average mass164.244 Da
  • Monoisotopic mass164.128250 Da
  • ChemSpider ID23936813
  • Non-standard isotope - Non-standard isotope


More details:





Date of deprecation: 15:49, Nov 7, 2014
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

1020719-66-7 [RN]
3-(1-Methyl-2-pyrrolidinyl-3,3-d2)pyridine
3-[1-Methyl(3,3-2H2)-2-pyrrolidinyl]pyridin [German] [ACD/IUPAC Name]
3-[1-Methyl(3,3-2H2)-2-pyrrolidinyl]pyridine [ACD/IUPAC Name]
3-[1-Méthyl(3,3-2H2)-2-pyrrolidinyl]pyridine [French] [ACD/IUPAC Name]
Nicotine-3',3'-D2
Pyridine, 3-(1-methyl-2-pyrrolidinyl-3,3-d2)- [ACD/Index Name]
3-(3,3-dideuterio-1-methylpyrrolidin-2-yl)pyridine
65636-96-6 [RN]
779W69U6PN

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

Density: 1.0±0.1 g/cm3
Boiling Point: 244.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.2±3.0 kJ/mol
Flash Point: 101.7±0.0 °C
Index of Refraction: 1.539
Molar Refractivity: 49.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.33
Polar Surface Area: 16 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 157.2±3.0 cm3

Click to predict properties on the Chemicalize site






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