Ammonium, (6-hydroxythymyl)trimethyl-, iodide, dimethylcarbamate
Basic information
- CAS
64050-90-4- Standard SMILES
Cc1ccc(C(C)C)c([N+](C)(C)C)c1OC(=O)N(C)C.[I-]- InChIKey
SPEWFWPICGUUEI-UHFFFAOYSA-M- Molecular formula
- C16H27IN2O2
- Average molar mass
- 406.3 g/mol
- Monoisotopic mass
- 406.11173
Names & identifiers
- Preferred name
- Ammonium, (6-hydroxythymyl)trimethyl-, iodide, dimethylcarbamate
- IUPAC
- [2-(dimethylcarbamoyloxy)-3-methyl-6-propan-2-ylphenyl]-trimethylazanium iodide
Names & synonyms
64050-90-4Carbamic acid, dimethyl-, (5-trimethylammonio)carvacryl ester, iodideAmmonium, (6-(N,N-dimethylcarbamoyloxy)thymyl)trimethyl-, iodideAMMONIUM, (6-HYDROXYTHYMYL)TRIMETHYL-, IODIDE, DIMETHYLCARBAMATECarbamic acid, N,N-dimethyl-, 4-dimethylaminocarvacryl ester, methiodideRefChem:318964SCHEMBL29358299DTXSID50982423SPEWFWPICGUUEI-UHFFFAOYSA-M2-[(Dimethylcarbamoyl)oxy]-N,N,N,3-tetramethyl-6-(propan-2-yl)anilinium iodide
Database identifiers
- CAS
64050-90-4- PubChem CID
- 47032
- DTXSID
DTXSID50982423- EC Number
- 439-060-1
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 334
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Related reactions
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Compound notes
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