ChemSpider 2D Image | 4-Methylmethylphenidate | C15H21NO2

4-Methylmethylphenidate

  • Molecular FormulaC15H21NO2
  • Average mass247.333 Da
  • Monoisotopic mass247.157227 Da
  • ChemSpider ID25039356

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-(4-Méthylphényl)[(2R)-2-pipéridinyl]acétate de méthyle [French] [ACD/IUPAC Name]
210776-67-3 [RN]
2-Piperidineacetic acid, α-(4-methylphenyl)-, methyl ester, (αR,2R)- [ACD/Index Name]
4-Methylmethylphenidate
Methyl (2R)-(4-methylphenyl)[(2R)-2-piperidinyl]acetate [ACD/IUPAC Name]
Methyl-(2R)-(4-methylphenyl)[(2R)-2-piperidinyl]acetat [German] [ACD/IUPAC Name]
THREO-4-METHYLMETHYLPHENIDATE

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

1Y11XUO4EY [DBID]
UNII:1Y11XUO4EY [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: 346.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 163.6±22.3 °C
Index of Refraction: 1.522
Molar Refractivity: 71.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.49
Polar Surface Area: 38 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 234.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement