ChemSpider 2D Image | 3-{[(2-Aminoethyl)(isopropyl)amino]methyl}benzonitrile | C13H19N3

3-{[(2-Aminoethyl)(isopropyl)amino]methyl}benzonitrile

  • Molecular FormulaC13H19N3
  • Average mass217.310 Da
  • Monoisotopic mass217.157898 Da
  • ChemSpider ID28301834

More details:

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

3-{[(2-Aminoethyl)(isopropyl)amino]methyl}benzonitril [German] [ACD/IUPAC Name]
3-{[(2-Aminoethyl)(isopropyl)amino]methyl}benzonitrile [ACD/IUPAC Name]
3-{[(2-Aminoéthyl)(isopropyl)amino]méthyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[[(2-aminoethyl)(1-methylethyl)amino]methyl]- [ACD/Index Name]
1353961-42-8 [RN]
3-(((2-Aminoethyl)(isopropyl)amino)methyl)benzonitrile
3-{[(2-AMINOETHYL)(PROPAN-2-YL)AMINO]METHYL}BENZONITRILE
3-{[(2-Amino-ethyl)-isopropyl-amino]-methyl }-benzonitrile
3-{[(2-aminoethyl)isopropylamino]methyl}-benzonitrile
3-{[(2-aminoethyl)-isopropyl-amino]-methyl}-benzonitrile
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 319.3±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 146.9±22.3 °C
Index of Refraction: 1.549
Molar Refractivity: 66.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.80
Polar Surface Area: 53 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 209.4±5.0 cm3

Click to predict properties on the Chemicalize site


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