ChemSpider 2D Image | 8-{4-[(4-Amino-5-chloro-2-methoxybenzoyl)amino]-1-piperidinyl}-1-octanesulfonic acid | C21H34ClN3O5S

8-{4-[(4-Amino-5-chloro-2-methoxybenzoyl)amino]-1-piperidinyl}-1-octanesulfonic acid

  • Molecular FormulaC21H34ClN3O5S
  • Average mass476.030 Da
  • Monoisotopic mass475.190765 Da
  • ChemSpider ID24617468

More details:

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

1-Piperidineoctanesulfonic acid, 4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]- [ACD/Index Name]
8-{4-[(4-Amino-5-chlor-2-methoxybenzoyl)amino]-1-piperidinyl}-1-octansulfonsäure [German] [ACD/IUPAC Name]
8-{4-[(4-Amino-5-chloro-2-methoxybenzoyl)amino]-1-piperidinyl}-1-octanesulfonic acid [ACD/IUPAC Name]
Acide 8-{4-[(4-amino-5-chloro-2-méthoxybenzoyl)amino]-1-pipéridinyl}-1-octanesulfonique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 122.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 364.2±5.0 cm3

Click to predict properties on the Chemicalize site


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