ChemSpider 2D Image | 2-Methyl-3-(4-thiomorpholinylmethyl)aniline | C12H18N2S

2-Methyl-3-(4-thiomorpholinylmethyl)aniline

  • Molecular FormulaC12H18N2S
  • Average mass222.350 Da
  • Monoisotopic mass222.119064 Da
  • ChemSpider ID25996043

More details:

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

1156220-85-7 [RN]
2-Methyl-3-(4-thiomorpholinylmethyl)anilin [German] [ACD/IUPAC Name]
2-Methyl-3-(4-thiomorpholinylmethyl)aniline [ACD/IUPAC Name]
2-Méthyl-3-(4-thiomorpholinylméthyl)aniline [French] [ACD/IUPAC Name]
2-methyl-3-[(thiomorpholin-4-yl)methyl]aniline
Benzenamine, 2-methyl-3-(4-thiomorpholinylmethyl)- [ACD/Index Name]
2-methyl-3-(thiomorpholin-4-ylmethyl)aniline
MFCD12186437 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 371.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 178.6±27.9 °C
Index of Refraction: 1.624
Molar Refractivity: 68.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.72
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 10.64
ACD/KOC (pH 7.4): 166.38
Polar Surface Area: 55 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 193.9±3.0 cm3

Click to predict properties on the Chemicalize site


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