ChemSpider 2D Image | 4-[(Isopropylamino)Methyl]Phenylalanine | C13H20N2O2

4-[(Isopropylamino)Methyl]Phenylalanine

  • Molecular FormulaC13H20N2O2
  • Average mass236.310 Da
  • Monoisotopic mass236.152481 Da
  • ChemSpider ID25057680
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-[(Isopropylamino)methyl]-L-phenylalanin [German] [ACD/IUPAC Name]
4-[(Isopropylamino)methyl]-L-phenylalanine [ACD/IUPAC Name]
4-[(Isopropylamino)méthyl]-L-phénylalanine [French] [ACD/IUPAC Name]
4-[(Isopropylamino)Methyl]Phenylalanine
L-Phenylalanine, 4-[[(1-methylethyl)amino]methyl]- [ACD/Index Name]
(2S)-2-amino-3-(4-{[(propan-2-yl)amino]methyl}phenyl)propanoic acid
(2S)-2-amino-3-{4-[(isopropylamino)methyl]phenyl}propanoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 380.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 184.2±26.5 °C
Index of Refraction: 1.552
Molar Refractivity: 67.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): -2.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 212.5±3.0 cm3

Click to predict properties on the Chemicalize site






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