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Search term: QCBUJYKEKWYUEQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-Methyl-N-[(3-methyl-3-oxetanyl)methyl]-1,4-dithiepan-6-amine | C11H21NOS2

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

  • Molecular FormulaC11H21NOS2
  • Average mass247.421 Da
  • Monoisotopic mass247.106461 Da
  • ChemSpider ID59705567

More details:

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

1,4-Dithiepan-6-amine, N-methyl-N-[(3-methyl-3-oxetanyl)methyl]- [ACD/Index Name]
N-Methyl-N-[(3-methyl-3-oxetanyl)methyl]-1,4-dithiepan-6-amin [German] [ACD/IUPAC Name]
N-Methyl-N-[(3-methyl-3-oxetanyl)methyl]-1,4-dithiepan-6-amine [ACD/IUPAC Name]
N-Méthyl-N-[(3-méthyl-3-oxétanyl)méthyl]-1,4-dithiépan-6-amine [French] [ACD/IUPAC Name]
1,4-dithiepan-6-yl(methyl)[(3-methyloxetan-3-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: 366.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.2±3.0 kJ/mol
Flash Point: 175.2±27.9 °C
Index of Refraction: 1.570
Molar Refractivity: 70.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.38
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 9.82
ACD/KOC (pH 7.4): 156.50
Polar Surface Area: 63 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 214.8±5.0 cm3

Click to predict properties on the Chemicalize site


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