N-Ethyl-N,N-dimethyl-3-[[(methylamino)carbonyl]oxy]benzenaminium

HCID 46039

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Basic information

CAS: 740033-71-0
Standard SMILES: CC[N+](C)(C)c1cccc(OC(=O)NC)c1
InChIKey: DZGSFBCFGNVAKD-UHFFFAOYSA-O
Molecular formula: C12H19N2O2+
Average molar mass: 223.29 g/mol
Monoisotopic mass: 223.14465285

Names & identifiers

Preferred name: N-Ethyl-N,N-dimethyl-3-[[(methylamino)carbonyl]oxy]benzenaminium
IUPAC: ethyl-dimethyl-[3-(methylcarbamoyloxy)phenyl]azanium

Names & synonyms

N-Ethyl-N,N-dimethyl-3-[[(methylamino)carbonyl]oxy]benzenaminiumDNY4VXC2V3T-1194 ion740033-71-0Benzenaminium, N-ethyl-N,N-dimethyl-3-[[(methylamino)carbonyl]oxy]-

Database identifiers

CAS: 740033-71-0
PubChem CID: 46039
UNII: DNY4VXC2V3
Nikkaji: J383.710F

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 1
Complexity: 241

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