Basic information
- CAS
63981-97-5- Standard SMILES
CC[N+](C)(C)c1cccc(OC(=O)NC)c1.[I-]- InChIKey
JABYKLLZSMHVBH-UHFFFAOYSA-N- Molecular formula
- C12H19IN2O2
- Average molar mass
- 350.2 g/mol
- Monoisotopic mass
- 350.04913
Names & identifiers
- Preferred name
- Ammonium, (m-hydroxyphenyl)dimethylethyl-, iodide, methylcarbamate
- IUPAC
- ethyl-dimethyl-[3-(methylcarbamoyloxy)phenyl]azanium iodide
Names & synonyms
TL-1323Ethiodide of N-methylurethane of 3-dimethylaminophenolT-119463981-97-5AMMONIUM, (m-HYDROXYPHENYL)DIMETHYLETHYL-, IODIDE, METHYLCARBAMATEAmmonium, (3-(N-methylcarbamoyloxy)phenyl)dimethylethyl-, iodideCarbamic acid, N-methyl-, 3-dimethylaminophenyl ester, ethiodideBenzenaminium, N-ethyl-N,N-dimethyl-3-(methylamino)carbonyloxy-, iodideRefChem:319003ethyl-dimethyl-[3-(methylcarbamoyloxy)phenyl]azanium,iodide7Z85N7S5T3Benzenaminium, N-ethyl-N,N-dimethyl-3-[[(methylamino)carbonyl]oxy]-, iodide
Show more names
Benzenaminium, N-ethyl-N,N-dimethyl-3-[[(methylamino)carbonyl]oxy]-, iodide (1:1)
Database identifiers
- CAS
63981-97-5- PubChem CID
- 46038
- UNII
- 7Z85N7S5T3
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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