2-(Ethyl(4-((2-cyano-5-chlorophenyl)azo)-3-methylphenyl)amino)-N,N,N-trimethylethanaminium hydrogen sulfate

HCID 166325

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 72828-96-7
Standard SMILES: CCN(CC[N+](C)(C)C)c1ccc(N=Nc2cc(Cl)ccc2C#N)c(C)c1.O=S(=O)([O-])[O-]
InChIKey: ZENVJICDUGVOQK-UHFFFAOYSA-L
Molecular formula: C21H27ClN5O4S-
Average molar mass: 481 g/mol
Monoisotopic mass: 480.1472282

Names & identifiers

Preferred name: 2-(Ethyl(4-((2-cyano-5-chlorophenyl)azo)-3-methylphenyl)amino)-N,N,N-trimethylethanaminium hydrogen sulfate
IUPAC: 2-[4-[(5-chloro-2-cyanophenyl)diazenyl]-N-ethyl-3-methylanilino]ethyl-trimethylazanium sulfate

Names & synonyms

Ethanaminium, 2-((4-((5-chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)-N,N,N-trimethyl-, sulfate (1:1)Ethanaminium, 2-((4-(2-(5-chloro-2-cyanophenyl)diazenyl)-3-methylphenyl)ethylamino)-N,N,N-trimethyl-, sulfate (1:1)EINECS 276-898-52-(Ethyl(4-((2-cyano-5-chlorophenyl)azo)-3-methylphenyl)amino)-N,N,N-trimethylethanaminium hydrogen sulfate(2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethylammonium hydrogen sulphate

Database identifiers

CAS: 72828-96-7
PubChem CID: 166325

Properties

Computed structural properties

Topological polar surface area: 140 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 32
Formal charge: -1
Complexity: 597

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…