ChemSpider 2D Image | {(3R,4R)-4-[(4-Methyl-1,4-diazepan-1-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}methanol | C19H32N4O

{(3R,4R)-4-[(4-Methyl-1,4-diazepan-1-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}methanol

  • Molecular FormulaC19H32N4O
  • Average mass332.484 Da
  • Monoisotopic mass332.257599 Da
  • ChemSpider ID29540328

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(3R,4R)-4-[(4-Methyl-1,4-diazepan-1-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}methanol [German] [ACD/IUPAC Name]
{(3R,4R)-4-[(4-Methyl-1,4-diazepan-1-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}methanol [ACD/IUPAC Name]
{(3R,4R)-4-[(4-Méthyl-1,4-diazépan-1-yl)méthyl]-1-[(6-méthyl-2-pyridinyl)méthyl]-3-pyrrolidinyl}méthanol [French] [ACD/IUPAC Name]
3-Pyrrolidinemethanol, 4-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-, (3R,4R)- [ACD/Index Name]
{(3R*,4R*)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}methanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 434.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 216.7±28.7 °C
Index of Refraction: 1.553
Molar Refractivity: 97.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.19
ACD/LogD (pH 5.5): -3.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 43 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 306.1±3.0 cm3

Click to predict properties on the Chemicalize site


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