ChemSpider 2D Image | 3121 | C12H17NO3

3121

  • Molecular FormulaC12H17NO3
  • Average mass223.268 Da
  • Monoisotopic mass223.120850 Da
  • ChemSpider ID24673379
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1,2-Benzenediol, 4-[(R)-hydroxy-(2S)-2-piperidinylmethyl]- [ACD/Index Name]
251-305-2 [EINECS]
26GIW6ZLPH
3121
32953-89-2 [RN]
4-{(R)-Hydroxy[(2S)-2-piperidinyl]methyl}-1,2-benzenediol [ACD/IUPAC Name]
4-{(R)-Hydroxy[(2S)-2-pipéridinyl]méthyl}-1,2-benzènediol [French] [ACD/IUPAC Name]
4-{(R)-Hydroxy[(2S)-2-piperidinyl]methyl}-1,2-benzoldiol [German] [ACD/IUPAC Name]
Rimiterol
UNII:26GIW6ZLPH
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 435.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 188.5±17.9 °C
Index of Refraction: 1.609
Molar Refractivity: 60.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -2.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 175.9±3.0 cm3

Click to predict properties on the Chemicalize site






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