Basic information
- CAS
63981-77-1- Standard SMILES
CNC(=O)Oc1cccc(C[N+](C)(C)C)c1.[I-]- InChIKey
BRKWHALBEYHVGU-UHFFFAOYSA-N- Molecular formula
- C12H19IN2O2
- Average molar mass
- 350.2 g/mol
- Monoisotopic mass
- 350.04913
Names & identifiers
- Preferred name
- Ammonium, (3-hydroxybenzyl)trimethyl-, iodide, methylcarbamate
- IUPAC
- trimethyl-[[3-(methylcarbamoyloxy)phenyl]methyl]azanium iodide
Names & synonyms
Carbamic acid, methyl-, alpha-(trimethylammonio)-m-tolyl ester, iodideT-1825Ammonium, (3-(N-methylcarbamoyloxy)benzyl)trimethyl-, idodideAMMONIUM, (3-HYDROXYBENZYL)TRIMETHYL-, IODIDE, METHYLCARBAMATECarbamic acid, N-methyl-, 3-(dimethylaminomethyl)phenyl ester, methiodide63981-77-1RefChem:318877
Database identifiers
- CAS
63981-77-1- PubChem CID
- 46005
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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