Polyquaternium-7 (CHEM021156)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-25 02:59:58 UTC
Update Date2016-10-28 10:03:09 UTC
Accession NumberCHEM021156
Identification
Common NamePolyquaternium-7
ClassSmall Molecule
DescriptionPolyquaternium-7 is an organic compound in the polyquaternium class of chemicals and used in the personal care industry. It is the copolymer of acrylamide and the quaternary ammonium salt diallyldimethylammonium chloride.Its molecular formula is: (C8H16ClN)n(C3H5NO)m.
Contaminant Sources
  • Cosmetic Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Polyquaternium-7MeSH
Dimethylbis(prop-2-en-1-yl)azanium hydrochloride prop-2-enecarboximidic acidGenerator
Chemical FormulaC11H21ClN2O
Average Molecular Mass232.750 g/mol
Monoisotopic Mass232.134 g/mol
CAS Registry NumberNot Available
IUPAC Namedimethylbis(prop-2-en-1-yl)azanium hydrochloride prop-2-enecarboximidate
Traditional Namedimethylbis(prop-2-en-1-yl)azanium hydrochloride prop-2-enecarboximidate
SMILESCl.[O-]C(=N)C=C.C[N+](C)(CC=C)CC=C
InChI IdentifierInChI=1S/C8H16N.C3H5NO.ClH/c1-5-7-9(3,4)8-6-2;1-2-3(4)5;/h5-6H,1-2,7-8H2,3-4H3;2H,1H2,(H2,4,5);1H/q+1;;/p-1
InChI KeyXFOSBZOUUACCCN-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of organic compounds known as acrylic acids and derivatives. These are organic compounds containing acrylic acid CH2=CHCO2H or a derivative thereof.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAcrylic acids and derivatives
Direct ParentAcrylic acids and derivatives
Alternative Parents
Substituents
  • Acrylic acid or derivatives
  • Tetraalkylammonium salt
  • Quaternary ammonium salt
  • Primary carboxylic acid amide
  • Carboxamide group
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic chloride salt
  • Organic salt
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Amine
  • Aliphatic acyclic compound
Molecular FrameworkNot Available
External DescriptorsNot Available
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 Solubility0.02 g/LALOGPS
logP0.73ALOGPS
logP-2.5ChemAxon
logS-4ALOGPS
Physiological Charge1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity54.23 m³·mol⁻¹ChemAxon
Polarizability15.72 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 IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkPolyquaternium-7
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID168563
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available