Found 737 results

Search term: MF = 'C_{12}H_{18}N_{2}S_{2}'
ChemSpider 2D Image | N-[(3-Methyl-4-pyridinyl)methyl]-1,4-dithiepan-6-amine | C12H18N2S2

N-[(3-Methyl-4-pyridinyl)methyl]-1,4-dithiepan-6-amine

  • Molecular FormulaC12H18N2S2
  • Average mass254.415 Da
  • Monoisotopic mass254.091141 Da
  • ChemSpider ID67980641

More details:

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

4-Pyridinemethanamine, N-1,4-dithiepan-6-yl-3-methyl- [ACD/Index Name]
N-[(3-Methyl-4-pyridinyl)methyl]-1,4-dithiepan-6-amin [German] [ACD/IUPAC Name]
N-[(3-Methyl-4-pyridinyl)methyl]-1,4-dithiepan-6-amine [ACD/IUPAC Name]
N-[(3-Méthyl-4-pyridinyl)méthyl]-1,4-dithiépan-6-amine [French] [ACD/IUPAC Name]
1,4-dithiepan-6-yl[(3-methylpyridin-4-yl)methyl]amine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 436.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 217.6±28.7 °C
Index of Refraction: 1.610
Molar Refractivity: 74.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 2.50
ACD/KOC (pH 5.5): 32.12
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 29.11
ACD/KOC (pH 7.4): 374.69
Polar Surface Area: 76 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 215.1±5.0 cm3

Click to predict properties on the Chemicalize site


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