ChemSpider 2D Image | (S)-embramine | C18H22BrNO

(S)-embramine

  • Molecular FormulaC18H22BrNO
  • Average mass348.277 Da
  • Monoisotopic mass347.088470 Da
  • ChemSpider ID32809844

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-embramine
2-[(1S)-1-(4-Bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine [ACD/IUPAC Name]
2-[(1S)-1-(4-Bromophényl)-1-phényléthoxy]-N,N-diméthyléthanamine [French] [ACD/IUPAC Name]
2-[(1S)-1-(4-Bromphenyl)-1-phenylethoxy]-N,N-dimethylethanamin [German] [ACD/IUPAC Name]
Ethanamine, 2-[(1S)-1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethyl- [ACD/Index Name]
3565-72-8 [RN]
Embramine [INN] [Wiki]
EMBRAMINE, (S)-
UNII-HH0KD7Z416

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

52JN674S3P [DBID]
UNII:52JN674S3P [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 405.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 199.2±25.9 °C
Index of Refraction: 1.562
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 7.38
ACD/KOC (pH 5.5): 22.55
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 248.77
ACD/KOC (pH 7.4): 759.57
Polar Surface Area: 12 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 282.0±3.0 cm3

Click to predict properties on the Chemicalize site


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