ChemSpider 2D Image | 4TT057Y1ST | C13H21NO2

4TT057Y1ST

  • Molecular FormulaC13H21NO2
  • Average mass223.311 Da
  • Monoisotopic mass223.157227 Da
  • ChemSpider ID27750188

More details:






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

1498978-47-4 [RN]
2-(4-Isopropyl-2,5-dimethoxyphenyl)ethanamin [German] [ACD/IUPAC Name]
2-(4-Isopropyl-2,5-dimethoxyphenyl)ethanamine [ACD/IUPAC Name]
2-(4-Isopropyl-2,5-diméthoxyphényl)éthanamine [French] [ACD/IUPAC Name]
4-ISOPROPYL-2,5-DIMETHOXYPHENETHYLAMINE
4TT057Y1ST
Benzeneethanamine, 2,5-dimethoxy-4-(1-methylethyl)- [ACD/Index Name]
2C-iP
Jelena
UNII:4TT057Y1ST

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

Density: 1.0±0.1 g/cm3
Boiling Point: 338.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 173.7±35.2 °C
Index of Refraction: 1.509
Molar Refractivity: 66.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.28
Polar Surface Area: 44 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 224.0±3.0 cm3

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