Ammonium, ((5-hydroxy-2-methyl)phenyl)trimethyl-, chloride, methylcarbamate
Basic information
- CAS
64070-75-3- Standard SMILES
CNC(=O)Oc1ccc(C)c([N+](C)(C)C)c1.[Cl-]- InChIKey
XJENYHCBWYXQJI-UHFFFAOYSA-N- Molecular formula
- C12H19ClN2O2
- Average molar mass
- 258.74 g/mol
- Monoisotopic mass
- 258.1135055
Names & identifiers
- Preferred name
- Ammonium, ((5-hydroxy-2-methyl)phenyl)trimethyl-, chloride, methylcarbamate
- IUPAC
- trimethyl-[2-methyl-5-(methylcarbamoyloxy)phenyl]azanium chloride
Names & synonyms
TL-1453Carbamic acid, methyl-, 3-(trimethylammonio)-p-tolyl ester, chlorideAmmonium, ((2-methyl-5-methylcarbamoyloxy)phenyl)trimethyl-, chlorideCarbamic acid, N-methyl-, 4-methyl-3-dimethylaminophenyl ester, methochlorideAMMONIUM, ((5-HYDROXY-2-METHYL)PHENYL)TRIMETHYL-, CHLORIDE, METHYLCARBAMATE64070-75-3RefChem:318661
Database identifiers
- CAS
64070-75-3- PubChem CID
- 47266
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
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Compound notes
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