ChemSpider 2D Image | (4-{[1-(Methylsulfonyl)-3-piperidinyl]carbonyl}-2-morpholinyl)acetic acid | C13H22N2O6S

(4-{[1-(Methylsulfonyl)-3-piperidinyl]carbonyl}-2-morpholinyl)acetic acid

  • Molecular FormulaC13H22N2O6S
  • Average mass334.389 Da
  • Monoisotopic mass334.119843 Da
  • ChemSpider ID53720873

More details:

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

(4-{[1-(Methylsulfonyl)-3-piperidinyl]carbonyl}-2-morpholinyl)acetic acid [ACD/IUPAC Name]
(4-{[1-(Methylsulfonyl)-3-piperidinyl]carbonyl}-2-morpholinyl)essigsäure [German] [ACD/IUPAC Name]
2-Morpholineacetic acid, 4-[[1-(methylsulfonyl)-3-piperidinyl]carbonyl]- [ACD/Index Name]
Acide (4-{[1-(méthylsulfonyl)-3-pipéridinyl]carbonyl}-2-morpholinyl)acétique [French] [ACD/IUPAC Name]
[4-(1-METHANESULFONYLPIPERIDINE-3-CARBONYL)MORPHOLIN-2-YL]ACETIC ACID
2-[4-(1-METHANESULFONYLPIPERIDINE-3-CARBONYL)MORPHOLIN-2-YL]ACETIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 594.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.8±6.0 kJ/mol
Flash Point: 313.4±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 78.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 237.1±5.0 cm3

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