Ammonium, ((5-hydroxy-2-methyl)phenyl)trimethyl-, methylsulfate, methylcarbamate
Basic information
- CAS
64046-38-4- Standard SMILES
CNC(=O)Oc1ccc(C)c([N+](C)(C)C)c1.COS(=O)(=O)[O-]- InChIKey
XPOUDHPASWLDBP-UHFFFAOYSA-N- Molecular formula
- C13H22N2O6S
- Average molar mass
- 334.39 g/mol
- Monoisotopic mass
- 334.1198576
Names & identifiers
- Preferred name
- Ammonium, ((5-hydroxy-2-methyl)phenyl)trimethyl-, methylsulfate, methylcarbamate
- IUPAC
- methyl sulfate;trimethyl-[2-methyl-5-(methylcarbamoyloxy)phenyl]azanium
Names & synonyms
TL-1188Carbamic acid, methyl-, 3-(trimethylammonio)-p-tolyl ester, methylsulfate64046-38-4Ammonium, ((2-methyl-5-methylcarbamoyloxy)phenyl)trimethyl-, methylsulfateCarbamic acid, N-methyl-, 4-methyl-3-dimethylaminophenyl ester, methosulfateAMMONIUM, ((5-HYDROXY-2-METHYL)PHENYL)TRIMETHYL-, METHYLSULFATE, METHYLCARBAMATERefChem:318664
Database identifiers
- CAS
64046-38-4- PubChem CID
- 46619
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 339
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Related reactions
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Compound notes
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