Basic information
- CAS
64050-03-9- Standard SMILES
CNC(=O)Oc1cc([N+](C)(C)C)ccc1C.[Cl-]- InChIKey
LBOSMHKJTZZPKO-UHFFFAOYSA-N- Molecular formula
- C12H19ClN2O2
- Average molar mass
- 258.74 g/mol
- Monoisotopic mass
- 258.1135055
Names & identifiers
- Preferred name
- Ammonium, (3-hydroxy-p-tolyl)trimethyl-, chloride, methylcarbamate
- IUPAC
- trimethyl-[4-methyl-3-(methylcarbamoyloxy)phenyl]azanium chloride
Names & synonyms
TL-1236Carbamic acid, methyl-, 5-(trimethylammonio)-o-tolyl ester, chlorideAmmonium, (3-(methylcarbamoyloxy)-p-tolyl)trimethyl-, chlorideAMMONIUM, (3-HYDROXY-p-TOLYL)TRIMETHYL-, CHLORIDE, METHYLCARBAMATECarbamic acid, N-methyl-, 2-methyl-5-dimethylaminophenyl ester, methochloride64050-03-9RefChem:318870
Database identifiers
- CAS
64050-03-9- PubChem CID
- 46965
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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