ChemSpider 2D Image | 1-{3-Methyl-4-[(3-methylbutyl)sulfanyl]phenyl}methanamine | C13H21NS

1-{3-Methyl-4-[(3-methylbutyl)sulfanyl]phenyl}methanamine

  • Molecular FormulaC13H21NS
  • Average mass223.378 Da
  • Monoisotopic mass223.139465 Da
  • ChemSpider ID24212949

More details:






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

1-{3-Methyl-4-[(3-methylbutyl)sulfanyl]phenyl}methanamin [German] [ACD/IUPAC Name]
1-{3-Methyl-4-[(3-methylbutyl)sulfanyl]phenyl}methanamine [ACD/IUPAC Name]
1-{3-Méthyl-4-[(3-méthylbutyl)sulfanyl]phényl}méthanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, 3-methyl-4-[(3-methylbutyl)thio]- [ACD/Index Name]
(4-(isopentylthio)-3-methylphenyl)methanamine
[3-Methyl-4-(3-methylbutylsulfanyl)phenyl]methanamine
804427-92-7 [RN]
Benzenemethanamine, 3-methyl-4-[(3-methylbutyl)thio]- (9CI)
MFCD18825378

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

Density: 1.0±0.1 g/cm3
Boiling Point: 326.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.9±3.0 kJ/mol
Flash Point: 151.5±26.5 °C
Index of Refraction: 1.549
Molar Refractivity: 70.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.77
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 8.86
ACD/KOC (pH 7.4): 55.38
Polar Surface Area: 51 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 40.2±5.0 dyne/cm
Molar Volume: 222.6±5.0 cm3

Click to predict properties on the Chemicalize site






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