ChemSpider 2D Image | N-[2-(2-Isopropyl-5-methylphenoxy)ethyl]-2-butanamine | C16H27NO

N-[2-(2-Isopropyl-5-methylphenoxy)ethyl]-2-butanamine

  • Molecular FormulaC16H27NO
  • Average mass249.392 Da
  • Monoisotopic mass249.209259 Da
  • ChemSpider ID21330975

More details:






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

1040692-34-9 [RN]
2-Butanamine, N-[2-[5-methyl-2-(1-methylethyl)phenoxy]ethyl]- [ACD/Index Name]
N-[2-(2-Isopropyl-5-methylphenoxy)ethyl]-2-butanamin [German] [ACD/IUPAC Name]
N-[2-(2-Isopropyl-5-methylphenoxy)ethyl]-2-butanamine [ACD/IUPAC Name]
N-[2-(2-Isopropyl-5-méthylphénoxy)éthyl]-2-butanamine [French] [ACD/IUPAC Name]
N-[2-[5-Methyl-2-(1-methylethyl)phenoxy]ethyl]-2-butanamine
(BUTAN-2-YL)({2-[5-METHYL-2-(PROPAN-2-YL)PHENOXY]ETHYL})AMINE
[1040692-34-9]
[2-(2-ISOPROPYL-5-METHYLPHENOXY)ETHYL](SEC-BUTYL)AMINE
MFCD10688208 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 349.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 152.5±16.0 °C
Index of Refraction: 1.491
Molar Refractivity: 78.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 6.47
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 22.95
ACD/KOC (pH 7.4): 99.31
Polar Surface Area: 21 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 31.0±3.0 dyne/cm
Molar Volume: 271.5±3.0 cm3

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