ChemSpider 2D Image | PNU-200579 | C22H29NO3

PNU-200579

  • Molecular FormulaC22H29NO3
  • Average mass355.471 Da
  • Monoisotopic mass355.214752 Da
  • ChemSpider ID52084026

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

194482-44-5 [RN]
3-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-hydroxybenzoesäure [German] [ACD/IUPAC Name]
3-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 3-[(1R)-3-(diisopropylamino)-1-phénylpropyl]-4-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy- [ACD/Index Name]
PNU-200579
X36M6M5D8A
(R)-3-(3-(Diisopropylamino)-1-phenylpropyl)-4-hydroxybenzoic acid
5-CARBOXYTOLTERODINE
5-CARBOXYTOLTERODINE-D14
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 512.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.5±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 105.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 11.20
ACD/KOC (pH 5.5): 37.62
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 11.58
ACD/KOC (pH 7.4): 38.88
Polar Surface Area: 61 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 320.6±3.0 cm3

Click to predict properties on the Chemicalize site


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