ChemSpider 2D Image | (7aR)-10-Methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-12-ol | C19H19NO4

(7aR)-10-Methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-12-ol

  • Molecular FormulaC19H19NO4
  • Average mass325.358 Da
  • Monoisotopic mass325.131409 Da
  • ChemSpider ID28424471

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7aR)-10-Methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]chinolin-12-ol [German] [ACD/IUPAC Name]
(7aR)-10-Méthoxy-7-méthyl-6,7,7a,8-tétrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoléin-12-ol [French] [ACD/IUPAC Name]
(7aR)-10-Methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-12-ol [ACD/IUPAC Name]
5H-1,3-Benzodioxolo[6,5,4-de]benzo[g]quinolin-12-ol, 6,7,7a,8-tetrahydro-10-methoxy-7-methyl-, (7aR)- [ACD/Index Name]
(-)-N-Methyl-calycinine
[86537-66-8] [RN]
86537-66-8 [RN]
MFCD20260716
N-Methylcalycinine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 531.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 275.5±30.1 °C
Index of Refraction: 1.654
Molar Refractivity: 88.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 13.12
ACD/KOC (pH 5.5): 91.10
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 221.92
ACD/KOC (pH 7.4): 1541.10
Polar Surface Area: 51 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 242.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement