Methyl acrylate-divinylbenzene-diethylene glycol divinyl ether terpolymer, aminolyzed with dimethylaminopropylamine and

General Information

MaintermMethyl acrylate-divinylbenzene-diethylene glycol divinyl ether terpolymer, aminolyzed with dimethylaminopropylamine and
CAS Reg.No.(or other ID)65997-24-2
Regnum

From www.fda.gov

Computed Descriptors

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2D Structure
CID3037203
IUPAC Name1,2-bis(ethenyl)benzene;4-[(E)-2-[(E)-2-but-3-enoxyethenoxy]ethenoxy]but-1-ene;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;chloride
InChIInChI=1S/C12H18O3.C10H10.C9H18N2O.ClH/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2;1-3-9-7-5-6-8-10(9)4-2;1-5-9(12)10-7-6-8-11(2,3)4;/h3-4,9-12H,1-2,5-8H2;3-8H,1-2H2;5H,1,6-8H2,2-4H3;1H/b11-9+,12-10+;;;
InChI KeyPUBZTFMXIUBSFV-RPKVEFQQSA-N
Canonical SMILESC[N+](C)(C)CCCNC(=O)C=C.C=CCCOC=COC=COCCC=C.C=CC1=CC=CC=C1C=C.[Cl-]
Molecular FormulaC31H47ClN2O4

From Pubchem

Computed Properties

Property Name Property Value
Molecular Weight547.177
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Complexity451.0
CACTVS Substructure Key Fingerprint A A A D c f B 7 O A A E A A A A A A A A A A A A A A A A A A A A A A A w A A A A A A A A A A A B A A A A H g A Q A A A A D A D h m A Y y A I P A B A C I A i F S E A C C C A A g A A A I i I A I A M g I I C K A U R C E I A A g 1 g C I i I c A g I A O g A A A A A A Q A A A A A A A A A C A A A A A A A A A A A A = =
Topological Polar Surface Area56.8
Monoisotopic Mass546.322
Exact Mass546.322
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count38
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count4

From Pubchem

Taxonomic Classification

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassStyrenes
Intermediate Tree NodesNot available
Direct ParentStyrenes
Alternative Parents
Molecular FrameworkNot available
SubstituentsStyrene - Aromatic hydrocarbon - Quaternary ammonium salt - Acrylic acid or derivatives - Tetraalkylammonium salt - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Cyclic olefin - Amine - Carbonyl group - Organic nitrogen compound - Organic chloride salt - Organic salt - Hydrocarbon derivative - Organic oxide - Unsaturated hydrocarbon - Organooxygen compound - Organonitrogen compound - Olefin - Organopnictogen compound - Organic oxygen compound - Organic cation - Hydrocarbon - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.

From ClassyFire