ChemSpider 2D Image | [(1R,4R)-4-Allyl-1,8-diethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid | C21H27NO2

[(1R,4R)-4-Allyl-1,8-diethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid

  • Molecular FormulaC21H27NO2
  • Average mass325.445 Da
  • Monoisotopic mass325.204193 Da
  • ChemSpider ID23162512

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1R,4R)-1,8-diethyl-4-(prop-2-en-1-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid
[(1R,4R)-4-Allyl-1,8-diethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid [ACD/IUPAC Name]
[(1R,4R)-4-Allyl-1,8-diethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]essigsäure [German] [ACD/IUPAC Name]
1H-Carbazole-1-acetic acid, 1,8-diethyl-2,3,4,9-tetrahydro-4-(2-propen-1-yl)-, (1R,4R)- [ACD/Index Name]
Acide [(1R,4R)-4-allyl-1,8-diéthyl-2,3,4,9-tétrahydro-1H-carbazol-1-yl]acétique [French] [ACD/IUPAC Name]
(4-Allyl-1,8-diethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-acetic acid
2-[(1R,4R)-1,8-diethyl-4-(prop-2-en-1-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL307285/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 526.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 272.4±28.7 °C
Index of Refraction: 1.574
Molar Refractivity: 98.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1080.18
ACD/KOC (pH 5.5): 2902.62
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 17.07
ACD/KOC (pH 7.4): 45.86
Polar Surface Area: 53 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 298.9±3.0 cm3

Click to predict properties on the Chemicalize site


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