ChemSpider 2D Image | MFCD10566963 | C21H27NO

MFCD10566963

  • Molecular FormulaC21H27NO
  • Average mass309.445 Da
  • Monoisotopic mass309.209259 Da
  • ChemSpider ID22905979

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-(+)-2-[Bis(3,5-dimethylphenyl)hydroxymethyl]pyrrolidine
(R)-Bis(3,5-dimethylphenyl)(pyrrolidin-2-yl)methanol
(R)-α,α-Bis(3,5-dimethylphenyl)-2-pyrrolidinemethanol
2-Pyrrolidinemethanol, α,α-bis(3,5-dimethylphenyl)-, (2R)- [ACD/Index Name]
948595-01-5 [RN]
Bis(3,5-dimethylphenyl)[(2R)-2-pyrrolidinyl]methanol [ACD/IUPAC Name]
Bis(3,5-dimethylphenyl)[(2R)-2-pyrrolidinyl]methanol [German] [ACD/IUPAC Name]
Bis(3,5-diméthylphényl)[(2R)-2-pyrrolidinyl]méthanol [French] [ACD/IUPAC Name]
MFCD10566963
- -2-[Bis hydroxymethyl]pyrrolidine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [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: 488.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 122.6±16.5 °C
Index of Refraction: 1.575
Molar Refractivity: 95.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 1.74
ACD/KOC (pH 5.5): 6.84
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 4.28
ACD/KOC (pH 7.4): 16.81
Polar Surface Area: 32 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 289.6±3.0 cm3

Click to predict properties on the Chemicalize site


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