Basic information
- CAS
63981-90-8- Standard SMILES
CC[N+](C)(C)c1ccc(OC(=O)N(C)C)cc1C(C)C.[I-]- InChIKey
RJWSLNJSNTYTOC-UHFFFAOYSA-M- Molecular formula
- C16H27IN2O2
- Average molar mass
- 406.3 g/mol
- Monoisotopic mass
- 406.11173
Names & identifiers
- Preferred name
- Ammonium, (4-hydroxy-o-cumenyl)dimethylethyl-, iodide, dimethylcarbamate
- IUPAC
- [4-(dimethylcarbamoyloxy)-2-propan-2-ylphenyl]-ethyl-dimethylazanium iodide
Names & synonyms
TL-1521Carbamic acid, dimethyl-, ((4-dimethylethylammonio)-3-isopropyl)phenyl ester, iodide63981-90-8AMMONIUM, (4-HYDROXY-o-CUMENYL)DIMETHYLETHYL-, IODIDE, DIMETHYLCARBAMATECarbamic acid, N,N-dimethyl-, 3-isopropyl-4-dimethylaminophenyl ester, ethiodideAmmonium, ((4-(N,N-dimethylcarbamoyloxy)-2-isopropyl)phenyl)dimethylethyl-, iodideRefChem:318920DTXSID509816534-[(Dimethylcarbamoyl)oxy]-N-ethyl-N,N-dimethyl-2-(propan-2-yl)anilinium iodide
Database identifiers
- CAS
63981-90-8- PubChem CID
- 46025
- DTXSID
DTXSID50981653
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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