ChemSpider 2D Image | A-940894 | C17H21N5

A-940894

  • Molecular FormulaC17H21N5
  • Average mass295.382 Da
  • Monoisotopic mass295.179688 Da
  • ChemSpider ID23343370

More details:

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

1027330-82-0 [RN]
4-(1-Piperazinyl)-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidin-2-amin [German] [ACD/IUPAC Name]
4-(1-Piperazinyl)-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidin-2-amine [ACD/IUPAC Name]
4-(1-Pipérazinyl)-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidin-2-amine [French] [ACD/IUPAC Name]
5H-Benzo[6,7]cyclohepta[1,2-d]pyrimidin-2-amine, 6,7-dihydro-4-(1-piperazinyl)- [ACD/Index Name]
8U5620H545
A-940894
(4-(Piperazin-1-yl)-6,7-dihydro-5H-benzo(6,7)cyclohepta(1,2-d)pyrimidin-2-yl)amine
1027330-82-0 (free base)
2,4-diamino-5,6-disubstituted pyrimidine, 9
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 605.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.2±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 2.75
ACD/KOC (pH 7.4): 34.36
Polar Surface Area: 67 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 240.8±3.0 cm3

Click to predict properties on the Chemicalize site


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