Azanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate (CHEM011575)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-19 03:41:18 UTC
Update Date2016-11-09 01:14:25 UTC
Accession NumberCHEM011575
Identification
Common NameAzanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
ClassSmall Molecule
DescriptionAn inorganic chloride salt having sodium(1+) as the counterion.
Contaminant Sources
  • HPV EPA Chemicals
  • OECD HPV Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Chlorure de sodiumChEBI
Cloruro sodicoChEBI
Common saltChEBI
HaliteChEBI
KochsalzChEBI
NaClChEBI
Natrii chloridumChEBI
NatriumchloridChEBI
Rock saltChEBI
SaltChEBI
Table saltChEBI
AdsorbanacKegg
Sodium chloride, (22)naMeSH
Sodium chloride, (24)naclMeSH
Saline solutionMeSH
Chemical FormulaClNa
Average Molecular Mass58.443 g/mol
Monoisotopic Mass57.959 g/mol
CAS Registry Number29081-56-9
IUPAC Namesodium chloride
Traditional Namesodium chloride
SMILES[Na+].[Cl-]
InChI IdentifierInChI=1S/ClH.Na/h1H;/q;+1/p-1
InChI KeyFAPWRFPIFSIZLT-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkali metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is an alkali metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal salts
Sub ClassAlkali metal chlorides
Direct ParentAlkali metal chlorides
Alternative Parents
Substituents
  • Alkali metal chloride
  • Inorganic chloride salt
  • Inorganic sodium salt
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility108 g/LALOGPS
logP0.06ALOGPS
logP-0.77ChemAxon
logS0.26ALOGPS
pKa (Strongest Acidic)3.09ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
SpectraNot Available
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDDB09153
HMDB IDHMDB0303410
FooDB IDFDB013288
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNACL
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSodium_Chloride
Chemspider ID5044
ChEBI ID26710
PubChem Compound IDNot Available
Kegg Compound IDC13563
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available