ChemSpider 2D Image | (2R)-2-Methyl-1-[4-(~2~H_3_)methyl(~2~H_4_)phenyl]-3-(1-piperidinyl)-1-propanone | C16H16D7NO

(2R)-2-Methyl-1-[4-(2H3)methyl(2H4)phenyl]-3-(1-piperidinyl)-1-propanone

  • Molecular FormulaC16H16D7NO
  • Average mass252.403 Da
  • Monoisotopic mass252.221909 Da
  • ChemSpider ID34984115

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R)-2-Methyl-1-[4-(2H3)methyl(2H4)phenyl]-3-(1-piperidinyl)-1-propanon [German] [ACD/IUPAC Name]
(2R)-2-Methyl-1-[4-(2H3)methyl(2H4)phenyl]-3-(1-piperidinyl)-1-propanone [ACD/IUPAC Name]
(2R)-2-Méthyl-1-[4-(2H3)méthyl(2H4)phényl]-3-(1-pipéridinyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 2-methyl-1-[4-(methyl-d3)phenyl-2,3,5,6-d4]-3-(1-piperidinyl)-, (2R)- [ACD/Index Name]
474641-19-5 [RN]
DEUTOLPERISONE
DEUTOLPERISONE, (R)-
UNII-3T8GP38U4I

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

MBD6IU0W3R [DBID]
UNII:MBD6IU0W3R [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 373.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 134.4±12.5 °C
Index of Refraction: 1.526
Molar Refractivity: 75.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.18
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 26.66
ACD/KOC (pH 7.4): 177.31
Polar Surface Area: 20 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 244.2±3.0 cm3

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