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Search term: MF = 'C_{7}H_{17}NO_{3}S'
ChemSpider 2D Image | Isobutyl 3-amino-1-propanesulfonate | C7H17NO3S

Isobutyl 3-amino-1-propanesulfonate

  • Molecular FormulaC7H17NO3S
  • Average mass195.280 Da
  • Monoisotopic mass195.092911 Da
  • ChemSpider ID28564810

More details:

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

1-Propanesulfonic acid, 3-amino-, 2-methylpropyl ester [ACD/Index Name]
3-Amino-1-propanesulfonate d'isobutyle [French] [ACD/IUPAC Name]
Isobutyl 3-amino-1-propanesulfonate [ACD/IUPAC Name]
Isobutyl-3-amino-1-propansulfonat [German] [ACD/IUPAC Name]
2-Methylpropyl 3-aminopropane-1-sulfonate
819862-63-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 322.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 148.9±23.2 °C
Index of Refraction: 1.466
Molar Refractivity: 48.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -3.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 175.5±3.0 cm3

Click to predict properties on the Chemicalize site


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