ChemSpider 2D Image | (2R,6S)-6-{[Methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydro-2,4-quinazolinediamine | C19H29N5O3

(2R,6S)-6-{[Methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydro-2,4-quinazolinediamine

  • Molecular FormulaC19H29N5O3
  • Average mass375.465 Da
  • Monoisotopic mass375.227051 Da
  • ChemSpider ID25060059

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,6S)-6-{[Methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydro-2,4-chinazolindiamin [German] [ACD/IUPAC Name]
(2R,6S)-6-{[Methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydro-2,4-quinazolinediamine [ACD/IUPAC Name]
(2R,6S)-6-{[Méthyl(3,4,5-triméthoxyphényl)amino]méthyl}-1,2,5,6,7,8-hexahydro-2,4-quinazolinediamine [French] [ACD/IUPAC Name]
(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine
2,4-Quinazolinediamine, 1,2,5,6,7,8-hexahydro-6-[[methyl(3,4,5-trimethoxyphenyl)amino]methyl]-, (2R,6S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 562.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.7±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 99.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 282.6±7.0 cm3

Click to predict properties on the Chemicalize site


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