Basic information
- CAS
63981-91-9- Standard SMILES
CC(C)c1cc(OC(=O)N(C)C)ccc1[N+](C)(C)C.[Cl-]- InChIKey
DCGLBJROWAVZBU-UHFFFAOYSA-M- Molecular formula
- C15H25ClN2O2
- Average molar mass
- 300.82 g/mol
- Monoisotopic mass
- 300.1604557
Names & identifiers
- Preferred name
- Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, chloride, dimethylcarbamate
- IUPAC
- [4-(dimethylcarbamoyloxy)-2-propan-2-ylphenyl]-trimethylazanium chloride
Names & synonyms
TL-1443Carbamic acid, dimethyl-, ((4-trimethylammonio)-3-isopropyl)phenyl ester, chloride63981-91-9Ammonium, ((4-(N,N-dimethylcarbamoyloxy)-2-isopropyl)phenyl)trimethyl-, chlorideAMMONIUM, (4-HYDROXY-o-CUMENYL)TRIMETHYL-, CHLORIDE, DIMETHYLCARBAMATECarbamic acid, N,N-dimethyl-, 3-isopropyl-4-dimethylaminophenyl ester methochlorideRefChem:318921DTXSID109816544-[(dimethylcarbamoyl)oxy]-N,N,N-trimethyl-2-(propan-2-yl)anilinium chloride
Database identifiers
- CAS
63981-91-9- PubChem CID
- 46027
- DTXSID
DTXSID10981654
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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