Ammonium, (3-hydroxy-alpha-methylphenethyl)trimethyl-, iodide, methylcarbamate
Basic information
- CAS
64046-30-6- Standard SMILES
CNC(=O)Oc1cccc(CC(C)[N+](C)(C)C)c1.[I-]- InChIKey
DLBULUSBAGXGQP-UHFFFAOYSA-N- Molecular formula
- C14H23IN2O2
- Average molar mass
- 378.25 g/mol
- Monoisotopic mass
- 378.08043
Names & identifiers
- Preferred name
- Ammonium, (3-hydroxy-alpha-methylphenethyl)trimethyl-, iodide, methylcarbamate
- IUPAC
- trimethyl-[1-[3-(methylcarbamoyloxy)phenyl]propan-2-yl]azanium iodide
Names & synonyms
Carbamic acid, methyl-, 3-(2-(trimethylammonio)propyl)phenyl ester, iodideT-2064Ammonium, (alpha-methyl-3-(methylcarbamoyloxy)phenethyl)trimethyl-, iodideCarbamic acid, N-methyl-, 3-(2-dimethylamino-n-propyl)phenyl ester methiodideAMMONIUM, (3-HYDROXY-alpha-METHYLPHENETHYL)TRIMETHYL-, IODIDE, METHYLCARBAMATE64046-30-6RefChem:318859
Database identifiers
- CAS
64046-30-6- PubChem CID
- 46605
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 273
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Compound notes
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