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Search term: ACXREQVXILYMKB-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[5-chloro-3-[4-(3-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-methyl-phenyl]-N',N'-dimethyl-ethane-1,2-diamine | C22H31ClN8

N-[5-chloro-3-[4-(3-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-methyl-phenyl]-N',N'-dimethyl-ethane-1,2-diamine

  • Molecular FormulaC22H31ClN8
  • Average mass442.988 Da
  • Monoisotopic mass442.236023 Da
  • ChemSpider ID28502207

More details:

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

1,2-Ethanediamine, N2-[5-chloro-3-[4-(3-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinyl]-2-methylphenyl]-N1,N1-dimethyl- [ACD/Index Name]
N'-{5-Chlor-3-[4-(3-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinyl]-2-methylphenyl}-N,N-dimethyl-1,2-ethandiamin [German] [ACD/IUPAC Name]
N'-{5-Chloro-3-[4-(3-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinyl]-2-methylphenyl}-N,N-dimethyl-1,2-ethanediamine [ACD/IUPAC Name]
N'-{5-Chloro-3-[4-(3-éthyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-pipérazinyl]-2-méthylphényl}-N,N-diméthyl-1,2-éthanediamine [French] [ACD/IUPAC 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: 675.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 362.2±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 127.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 11.16
ACD/KOC (pH 7.4): 62.38
Polar Surface Area: 76 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 346.3±3.0 cm3

Click to predict properties on the Chemicalize site


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