ChemSpider 2D Image | 4-METHYLBUPHEDRONE | C12H17NO

4-METHYLBUPHEDRONE

  • Molecular FormulaC12H17NO
  • Average mass191.270 Da
  • Monoisotopic mass191.131012 Da
  • ChemSpider ID26702147

More details:






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

1337016-51-9 [RN]
4-METHYLBUPHEDRONE
1-Butanone, 2-(methylamino)-1-(4-methylphenyl)- [ACD/Index Name]
2-(Methylamino)-1-(4-methylphenyl)-1-butanon [German] [ACD/IUPAC Name]
2-(Methylamino)-1-(4-methylphenyl)-1-butanone [ACD/IUPAC Name]
2-(Méthylamino)-1-(4-méthylphényl)-1-butanone [French] [ACD/IUPAC Name]
4-Me-MABP [ACD/IUPAC Name]

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

A297J1UL90 [DBID]
UNII:A297J1UL90 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 296.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.7±3.0 kJ/mol
Flash Point: 111.5±22.8 °C
Index of Refraction: 1.510
Molar Refractivity: 58.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.12
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 18.96
ACD/KOC (pH 7.4): 234.08
Polar Surface Area: 29 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 196.0±3.0 cm3

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