ChemSpider 2D Image | Cotinine-d3 | C10H9D3N2O

Cotinine-d3

  • Molecular FormulaC10H9D3N2O
  • Average mass179.234 Da
  • Monoisotopic mass179.113800 Da
  • ChemSpider ID17341134

  • Non-standard isotope - Non-standard isotope

More details:

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

(±)-Cotinine-(methyl-d3)
(±)-Cotinine-d3 (N-methyl-d3)
1-(2H3)Methyl-5-(3-pyridinyl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
1-(2H3)Methyl-5-(3-pyridinyl)-2-pyrrolidinone [ACD/IUPAC Name]
1-(2H3)Méthyl-5-(3-pyridinyl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
1-(2H3)Methyl-5-(pyridin-3-yl)pyrrolidin-2-one
1-(Methyl-d3)-5-(3-pyridinyl)-2-pyrrolidinone
110952-70-0 [RN]
200-659-6 [EINECS]
202656-15-3 [RN]
More...

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

488976_ALDRICH [DBID]
610577_ALDRICH [DBID]
C6422_SIGMA [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 316.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 55.7±3.0 kJ/mol
Flash Point: 166.7±25.9 °C
Index of Refraction: 1.556
Molar Refractivity: 49.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.23
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.22
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.37
Polar Surface Area: 33 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 153.7±3.0 cm3

Click to predict properties on the Chemicalize site


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