Basic information
- CAS
102571-31-3- Standard SMILES
CCc1ccc(OC(=O)N(C)C)c([N+](C)(C)C)c1.[I-]- InChIKey
TWIPHKQUSQGTSH-UHFFFAOYSA-M- Molecular formula
- C14H23IN2O2
- Average molar mass
- 378.25 g/mol
- Monoisotopic mass
- 378.08043
Names & identifiers
- Preferred name
- Ammonium, (5-ethyl-2-hydroxyphenyl)trimethyl-, iodide, dimethylcarbamate (ester)
- IUPAC
- [2-(dimethylcarbamoyloxy)-5-ethylphenyl]-trimethylazanium iodide
- English name
- (5-Ethyl-2-hydroxyphenyl)trimethylammonium iodide dimethylcarbamate (e ster)
- Molecular formula
- C14H23N2O2.I
- Molecular weight
- 378.248
Names & synonyms
102571-31-3(5-Ethyl-2-hydroxyphenyl)trimethylammonium iodide dimethylcarbamate (ester)AMMONIUM, (5-ETHYL-2-HYDROXYPHENYL)TRIMETHYL-, IODIDE, DIMETHYLCARBAMATE (ester)RefChem:318947DTXSID30907750[2-(dimethylcarbamoyloxy)-5-ethylphenyl]-trimethylazanium;iodide(5-ETHYL-2-HYDROXYPHENYL)TRIMETHYLAMMONIUM IODIDE DIMETHYLCARBAMATE (E STER)2-[(dimethylcarbamoyl)oxy]-5-ethyl-N,N,N-trimethylanilinium iodide[2-(Dimethylcarbamoyloxy)-5-ethylphenyl]-trimethylazanium iodide
Database identifiers
- CAS
102571-31-3- PubChem CID
- 59518
- DTXSID
DTXSID30907750
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 148 · 148-149 °C
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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