ChemSpider 2D Image | (R)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine | C18H29N5O

(R)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine

  • Molecular FormulaC18H29N5O
  • Average mass331.456 Da
  • Monoisotopic mass331.237213 Da
  • ChemSpider ID28533757

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8R)-8-[(Dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amin [German] [ACD/IUPAC Name]
(8R)-8-[(Dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine [ACD/IUPAC Name]
(8R)-8-[(Diméthylamino)méthyl]-1-[3-(diméthylamino)propyl]-1,7,8,9-tétrahydrochroméno[5,6-d]imidazol-2-amine [French] [ACD/IUPAC Name]
(R)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine
Pyrano[3,2-e]benzimidazole-1(7H)-propanamine, 2-amino-8-[(dimethylamino)methyl]-8,9-dihydro-N,N-dimethyl-, (8R)- [ACD/Index Name]
(8R)-8-(dimethylaminomethyl)-1-[3-(dimethylamino)propyl]-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine
SS0
  • Miscellaneous

    • Chemical Class:

      An imidazochromene that is 1,7,8,9-tetrahydrochromeno[5,6-<ital>d</ital>]imidazol-2-amine bearing additional 3-(dimethylamino)propyl and (dimethylamino)methyl substituents at positions 1 and 8 respect ively (the <stereo>R</stereo>-enantiomer). ChEBI CHEBI:72332
      An imidazochromene that is 1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine bearing additional 3-(dimethylamino)propyl and (dimethylamino)methyl substituents at positions 1 and 8 respectively (the R- enantiomer). ChEBI CHEBI:72332

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

Density: 1.2±0.1 g/cm3
Boiling Point: 504.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.2±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 95.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -3.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 60 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 273.7±7.0 cm3

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