ChemSpider 2D Image | [trans-4-(Methylamino)cyclohexyl]methanesulfonic acid | C8H17NO3S

[trans-4-(Methylamino)cyclohexyl]methanesulfonic acid

  • Molecular FormulaC8H17NO3S
  • Average mass207.290 Da
  • Monoisotopic mass207.092911 Da
  • ChemSpider ID75537042

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[trans-4-(Methylamino)cyclohexyl]methanesulfonic acid [ACD/IUPAC Name]
[trans-4-(Methylamino)cyclohexyl]methansulfonsäure [German] [ACD/IUPAC Name]
Acide [trans-4-(méthylamino)cyclohexyl]méthanesulfonique [French] [ACD/IUPAC Name]
Cyclohexanemethanesulfonic acid, 4-(methylamino)-, trans- [ACD/Index Name]
2124221-12-9 [RN]
MFCD32068268
trans-(4-(Methylamino)cyclohexyl)methanesulfonic acid
Trans-[4-(methylamino)cyclohexyl]methanesulfonic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.516
Molar Refractivity: 51.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -3.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 168.8±5.0 cm3

Click to predict properties on the Chemicalize site


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