Basic information
- CAS
63981-92-0- Standard SMILES
CNC(=O)Oc1ccc([N+](C)(C)C)c(C(C)C)c1.[Cl-]- InChIKey
OISRLGZFBHIFIQ-UHFFFAOYSA-N- Molecular formula
- C14H23ClN2O2
- Average molar mass
- 286.8 g/mol
- Monoisotopic mass
- 286.1448057
Names & identifiers
- Preferred name
- Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, chloride, methylcarbamate
- IUPAC
- trimethyl-[4-(methylcarbamoyloxy)-2-propan-2-ylphenyl]azanium chloride
Names & synonyms
TL-1345Ammonium, (4-methylcarbamoyloxy-o-cumenyl)trimethyl-, chlorideCarbamic acid, methyl-, (4-trimethylammonio)-m-cumenyl ester, chlorideAMMONIUM, (4-HYDROXY-o-CUMENYL)TRIMETHYL-, CHLORIDE, METHYLCARBAMATECarbamic acid, N-methyl-, 3-isopropyl-4-dimethylaminophenyl ester, methochloride63981-92-0RefChem:318922
Database identifiers
- CAS
63981-92-0- PubChem CID
- 46028
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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