Ammonium, (2-carboxyethyl)trimethyl-, iodide, n-butyl ester

HCID 29657

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Basic information

CAS: 19552-67-1
Standard SMILES: CCCCOC(=O)CC[N+](C)(C)C.[I-]
InChIKey: VRBXZCZYJAKYRD-UHFFFAOYSA-M
Molecular formula: C10H22INO2
Average molar mass: 315.19 g/mol
Monoisotopic mass: 315.06953

Names & identifiers

Preferred name: Ammonium, (2-carboxyethyl)trimethyl-, iodide, n-butyl ester
IUPAC: (3-butoxy-3-oxopropyl)-trimethylazanium iodide

Names & synonyms

19552-67-1AMMONIUM, (2-CARBOXYETHYL)TRIMETHYL-, IODIDE, n-BUTYL ESTERRefChem:1076721(2-Carboxyethyl)trimethylammonium iodide n-butyl esterDTXSID909413323-Butoxy-N,N,N-trimethyl-3-oxopropan-1-aminium iodide

Database identifiers

CAS: 19552-67-1
PubChem CID: 29657
DTXSID: DTXSID90941332

Properties

Computed structural properties

Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 14
Formal charge: 0
Complexity: 149

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