Basic information
- CAS
63981-52-2- Standard SMILES
CC(C)c1cc([N+](C)(C)C)ccc1OC(=O)N(C)C.[I-]- InChIKey
DOFSGZFROWBVMP-UHFFFAOYSA-M- Molecular formula
- C15H25IN2O2
- Average molar mass
- 392.28 g/mol
- Monoisotopic mass
- 392.09608
Names & identifiers
- Preferred name
- Ammonium, (4-hydroxy-m-cumenyl)trimethyl-, iodide, dimethylcarbamate
- IUPAC
- [4-(dimethylcarbamoyloxy)-3-propan-2-ylphenyl]-trimethylazanium iodide
Names & synonyms
TL-1313Carbamic acid, dimethyl-, ((p-trimethylammonio)-o-isopropyl)phenyl ester, iodide63981-52-2Ammonium, ((4-(N,N-dimethylcarbamoyloxy)-3-isopropyl)phenyl)trimethyl-, iodideAMMONIUM, (4-HYDROXY-m-CUMENYL)TRIMETHYL-, IODIDE, DIMETHYLCARBAMATECarbamic acid, N,N-dimethyl-, 4-dimethylamino-2-isopropylphenyl ester, methiodideRefChem:318916DTXSID509816184-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethyl-3-(propan-2-yl)anilinium iodide
Database identifiers
- CAS
63981-52-2- PubChem CID
- 45959
- DTXSID
DTXSID50981618
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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