ChemSpider 2D Image | A-987306 | C18H25N5O

A-987306

  • Molecular FormulaC18H25N5O
  • Average mass327.424 Da
  • Monoisotopic mass327.205902 Da
  • ChemSpider ID28189685
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(7aR,11aR)-4-(1-Piperazinyl)-5,6,7a,8,9,10,11,11a-octahydro[1]benzofuro[2,3-h]chinazolin-2-amin [German] [ACD/IUPAC Name]
(7aR,11aR)-4-(1-Piperazinyl)-5,6,7a,8,9,10,11,11a-octahydro[1]benzofuro[2,3-h]quinazolin-2-amine [ACD/IUPAC Name]
(7aR,11aR)-4-(1-Pipérazinyl)-5,6,7a,8,9,10,11,11a-octahydro[1]benzofuro[2,3-h]quinazolin-2-amine [French] [ACD/IUPAC Name]
1082954-71-9 [RN]
A-987306
Benzofuro[2,3-h]quinazolin-2-amine, 5,6,7a,8,9,10,11,11a-octahydro-4-(1-piperazinyl)-, (7aR,11aR)- [ACD/Index Name]
(7aR,11aR)-4-(piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydrobenzofuro[2,3-h]quinazolin-2-amine
A 987306
Benzofuro(2,3-H)quinazolin-2-amine, 5,6,7a,8,9,10,11,11a-octahydro-4-(1-piperazinyl)-, (7aR,11aR)-rel-
Benzofuro[2,3-h]quinazolin-2-amine, 5,6,7a,8,9,10,11,11a-octahydro-4-(1-piperazinyl)-, (7aR,11aR)-rel-

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

6BVK16R925 [DBID]
UNII:6BVK16R925 [DBID]
UNII-6BVK16R925 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 630.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.2±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.90
ACD/KOC (pH 7.4): 26.63
Polar Surface Area: 76 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 70.0±5.0 dyne/cm
Molar Volume: 246.5±5.0 cm3

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