Found 5 results

Search term: MF = 'C_{20}H_{30}BrNO_{4}S'
ChemSpider 2D Image | N-{4-[2-Bromo-4-(2-methyl-2-propanyl)phenoxy]butanoyl}-S-ethylhomocysteine | C20H30BrNO4S

N-{4-[2-Bromo-4-(2-methyl-2-propanyl)phenoxy]butanoyl}-S-ethylhomocysteine

  • Molecular FormulaC20H30BrNO4S
  • Average mass460.426 Da
  • Monoisotopic mass459.107880 Da
  • ChemSpider ID34723444

More details:

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

Homocysteine, N-[4-[2-bromo-4-(1,1-dimethylethyl)phenoxy]-1-oxobutyl]-S-ethyl- [ACD/Index Name]
N-{4-[2-Brom-4-(2-methyl-2-propanyl)phenoxy]butanoyl}-S-ethylhomocystein [German] [ACD/IUPAC Name]
N-{4-[2-Bromo-4-(2-methyl-2-propanyl)phenoxy]butanoyl}-S-ethylhomocysteine [ACD/IUPAC Name]
N-{4-[2-Bromo-4-(2-méthyl-2-propanyl)phénoxy]butanoyl}-S-éthylhomocystéine [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: 631.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 335.5±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 113.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 7.73
ACD/KOC (pH 5.5): 33.02
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.62
Polar Surface Area: 101 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 359.8±3.0 cm3

Click to predict properties on the Chemicalize site


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