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Search term: ZQPUAJLAXSAIEG-IAKCYEPBSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-[({2-[(3s,5s,7s)-Adamantan-1-yl]ethyl}amino)methyl]phenol | C19H27NO

2-[({2-[(3s,5s,7s)-Adamantan-1-yl]ethyl}amino)methyl]phenol

  • Molecular FormulaC19H27NO
  • Average mass285.424 Da
  • Monoisotopic mass285.209259 Da
  • ChemSpider ID35035396

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-[({2-[(3s,5s,7s)-Adamantan-1-yl]ethyl}amino)methyl]phenol [German] [ACD/IUPAC Name]
2-[({2-[(3s,5s,7s)-Adamantan-1-yl]ethyl}amino)methyl]phenol [ACD/IUPAC Name]
2-[({2-[(3s,5s,7s)-Adamantan-1-yl]éthyl}amino)méthyl]phénol [French] [ACD/IUPAC Name]
Phenol, 2-[[(2-tricyclo[3.3.1.13,7]dec-1-ylethyl)amino]methyl]- [ACD/Index Name]
2-[({2-[(3s,5s,7s)-Tricyclo[3.3.1.13,7]dec-1-Yl]ethyl}amino)methyl]phenol
4A0

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

Density: 1.1±0.1 g/cm3
Boiling Point: 416.6±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 99.6±12.4 °C
Index of Refraction: 1.586
Molar Refractivity: 86.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 1.56
ACD/KOC (pH 5.5): 6.68
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 24.57
ACD/KOC (pH 7.4): 105.34
Polar Surface Area: 32 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 256.2±3.0 cm3

Click to predict properties on the Chemicalize site


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