Found 1 result

Search term: JMCOWJPNQBZSNZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (6aS)-2-Methoxy-6a-methyl-5,6,6a,11,11a,11b,12,13-octahydro-4bH-naphtho[2',1':4,5]indeno[1,2-d]pyrimidin-8-amine | C21H25N3O

(6aS)-2-Methoxy-6a-methyl-5,6,6a,11,11a,11b,12,13-octahydro-4bH-naphtho[2',1':4,5]indeno[1,2-d]pyrimidin-8-amine

  • Molecular FormulaC21H25N3O
  • Average mass335.443 Da
  • Monoisotopic mass335.199768 Da
  • ChemSpider ID30650352

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(6aS)-2-Methoxy-6a-methyl-5,6,6a,11,11a,11b,12,13-octahydro-4bH-naphtho[2',1':4,5]indeno[1,2-d]pyrimidin-8-amin [German] [ACD/IUPAC Name]
(6aS)-2-Methoxy-6a-methyl-5,6,6a,11,11a,11b,12,13-octahydro-4bH-naphtho[2',1':4,5]indeno[1,2-d]pyrimidin-8-amine [ACD/IUPAC Name]
(6aS)-2-Méthoxy-6a-méthyl-5,6,6a,11,11a,11b,12,13-octahydro-4bH-naphto[2',1':4,5]indéno[1,2-d]pyrimidin-8-amine [French] [ACD/IUPAC Name]
5H-Naphth[2',1':4,5]indeno[1,2-d]pyrimidin-8-amine, 4b,6,6a,11,11a,11b,12,13-octahydro-2-methoxy-6a-methyl-, (6aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 494.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 252.6±31.5 °C
Index of Refraction: 1.717
Molar Refractivity: 96.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 3.96
ACD/KOC (pH 5.5): 25.45
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 15.85
ACD/KOC (pH 7.4): 101.88
Polar Surface Area: 57 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 244.3±7.0 cm3

Click to predict properties on the Chemicalize site


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