ammonium, (2-(2,2-dicyano-1-hydroxyvinyloxy)ethyl)trimethyl-, hydroxide, inner salt

HCID 52013

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Basic information

CAS: 73664-04-7
Standard SMILES: C[N+](C)(C)CCOC(=O)C(=C=[N-])C#N
InChIKey: HQTBUIMHWAGVJW-UHFFFAOYSA-N
Molecular formula: C9H13N3O2
Average molar mass: 195.22 g/mol
Monoisotopic mass: 195.10077667

Names & identifiers

Preferred name: ammonium, (2-(2,2-dicyano-1-hydroxyvinyloxy)ethyl)trimethyl-, hydroxide, inner salt
IUPAC: [2-cyano-3-oxo-3-[2-(trimethylazaniumyl)ethoxy]prop-1-enylidene]azanide

Names & synonyms

Ammonium, (2-(2,2-dicyano-1-hydroxyvinyloxy)ethyl)trimethyl-, hydroxide, inner salt73664-04-7DTXSID50223883(2-(2,2-Dicyano-1-hydroxyvinyloxy)ethyl)trimethylammonium hydroxide, inner saltRefChem:318723DTXCID801463742,2-Dicyano-1-[2-(trimethylazaniumyl)ethoxy]ethen-1-olate

Database identifiers

CAS: 73664-04-7
PubChem CID: 52013
DTXSID: DTXSID50223883

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 51.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 297

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