ChemSpider 2D Image | Myrtecaine | C17H31NO

Myrtecaine

  • Molecular FormulaC17H31NO
  • Average mass265.434 Da
  • Monoisotopic mass265.240570 Da
  • ChemSpider ID32697374

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-{2-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethoxy}-N,N-diethylethanamin [German] [ACD/IUPAC Name]
2-{2-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethoxy}-N,N-diethylethanamine [ACD/IUPAC Name]
2-{2-[(1R,5S)-6,6-Diméthylbicyclo[3.1.1]hept-2-én-2-yl]éthoxy}-N,N-diéthyléthanamine [French] [ACD/IUPAC Name]
231-735-7 [EINECS]
7712-50-7 [RN]
Ethanamine, 2-[2-[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethoxy]-N,N-diethyl- [ACD/Index Name]
Myrtecaine

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

1892 [DBID]
9902116282 [DBID]
UNII:9902116282 [DBID]
UNII-9902116282 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 335.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.9±3.0 kJ/mol
Flash Point: 99.1±25.5 °C
Index of Refraction: 1.486
Molar Refractivity: 81.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 5.17
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 6.85
ACD/KOC (pH 7.4): 30.65
Polar Surface Area: 12 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 31.4±3.0 dyne/cm
Molar Volume: 285.1±3.0 cm3

Click to predict properties on the Chemicalize site


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