DIALLYLDIETHYL AMMONIUM CHLORIDE

General Information

MaintermDIALLYLDIETHYL AMMONIUM CHLORIDE
CAS Reg.No.(or other ID)13107-00-1
Regnum 176.170

From www.fda.gov

Computed Descriptors

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2D Structure
CID83148
IUPAC Namediethyl-bis(prop-2-enyl)azanium;chloride
InChIInChI=1S/C10H20N.ClH/c1-5-9-11(7-3,8-4)10-6-2;/h5-6H,1-2,7-10H2,3-4H3;1H/q+1;/p-1
InChI KeyIOMDIVZAGXCCAC-UHFFFAOYSA-M
Canonical SMILESCC[N+](CC)(CC=C)CC=C.[Cl-]
Molecular FormulaC10H20ClN

From Pubchem

Computed Properties

Property Name Property Value
Molecular Weight189.727
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Complexity111.0
CACTVS Substructure Key Fingerprint A A A D c e B y A 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 A A A A A A A A A A A A A A A A A H A A A A A A A C A D B A A Q C A A M A A A C A A C B C A A C A A A A A A A A I A A A I A A A A A A A A A Q A A A A A A A A C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area0.0
Monoisotopic Mass189.128
Exact Mass189.128
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count12
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

From Pubchem

Taxonomic Classification

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
ClassOrganonitrogen compounds
SubclassQuaternary ammonium salts
Intermediate Tree NodesNot available
Direct ParentTetraalkylammonium salts
Alternative Parents
Molecular FrameworkAliphatic acyclic compounds
SubstituentsTetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Amine - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.

From ClassyFire