Basic information
- CAS
63981-54-4- Standard SMILES
CNC(=O)Oc1cc([N+](C)(C)C)ccc1C(C)C.[I-]- InChIKey
SVCBOPJUJSGNFP-UHFFFAOYSA-N- Molecular formula
- C14H23IN2O2
- Average molar mass
- 378.25 g/mol
- Monoisotopic mass
- 378.08043
Names & identifiers
- Preferred name
- Ammonium, (3-hydroxy-p-cumenyl)trimethyl-, iodide, methylcarbamate
- IUPAC
- trimethyl-[3-(methylcarbamoyloxy)-4-propan-2-ylphenyl]azanium iodide
Names & synonyms
AMMONIUM, (3-HYDROXY-p-CUMENYL)TRIMETHYL-, IODIDE, METHYLCARBAMATE63981-54-4RefChem:1076771Carbamic acid, methyl-, (5-(trimethylammonio)-o-cumenyl) ester, iodideNIOSH/BR1349000BR13490000Methiodide of N-methylurethane of 3-dimethylamino-6-isopropylphenol(3-Hydroxy-4-isopropylphenyl)trimethylammonium iodide methylcarbamate (ester)Ammonium, (3-hydroxy-4-isopropylphenyl)trimethyl-, iodide, methylcarbamate (ester)TL-1501T-1709Ammonium, (3-(methylcarbamoyloxy)-p-cumenyl)trimethyl-, iodide
Show more names
Carbamic acid, N-methyl-, 5-dimethylamino-2-isopropylphenyl ester, methiodide
Database identifiers
- CAS
63981-54-4- PubChem CID
- 45963
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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