ChemSpider 2D Image | 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE | C17H33N5

6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE

  • Molecular FormulaC17H33N5
  • Average mass307.477 Da
  • Monoisotopic mass307.273590 Da
  • ChemSpider ID16744236

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,4R,4aR,6S,8aS)-6-[(3aR,7aS)-Octahydro-1H-indol-1-ylmethyl]decahydro-2,4-chinazolindiamin [German] [ACD/IUPAC Name]
(2R,4R,4aR,6S,8aS)-6-[(3aR,7aS)-Octahydro-1H-indol-1-ylmethyl]decahydro-2,4-quinazolinediamine [ACD/IUPAC Name]
(2R,4R,4aR,6S,8aS)-6-[(3aR,7aS)-Octahydro-1H-indol-1-ylméthyl]décahydro-2,4-quinazolinediamine [French] [ACD/IUPAC Name]
2,4-Quinazolinediamine, decahydro-6-[[(3aR,7aS)-octahydro-1H-indol-1-yl]methyl]-, (2R,4R,4aR,6S,8aS)- [ACD/Index Name]
6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE
(2R,4R,4aR,6S,8aS)-6-[(3aR,7aS)-octahydro-1H-indol-1-ylmethyl]-decahydroquinazoline-2,4-diamine
(2R,4R,4aR,6S,8aS)-6-[(3aR,7aS)-octahydroindol-1-ylmethyl]-decahydroquinazoline-2,4-diamine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 413.5±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 203.9±19.8 °C
Index of Refraction: 1.530
Molar Refractivity: 90.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.46
ACD/LogD (pH 5.5): -3.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 291.0±3.0 cm3

Click to predict properties on the Chemicalize site


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