Ammonium, (6-hydroxythymyl)dimethylethyl-, iodide, methylcarbamate
Basic information
- CAS
64050-89-1- Standard SMILES
CC[N+](C)(C)c1c(C(C)C)ccc(C)c1OC(=O)NC.[I-]- InChIKey
WGXDPDQWTOUCJV-UHFFFAOYSA-N- Molecular formula
- C16H27IN2O2
- Average molar mass
- 406.3 g/mol
- Monoisotopic mass
- 406.11173
Names & identifiers
- Preferred name
- Ammonium, (6-hydroxythymyl)dimethylethyl-, iodide, methylcarbamate
- IUPAC
- ethyl-dimethyl-[3-methyl-2-(methylcarbamoyloxy)-6-propan-2-ylphenyl]azanium iodide
Names & synonyms
TL-1482Carbamic acid, methyl-, (5-dimethylethylammonio)carvacryl ester, iodide64050-89-1Ammonium, (6-methylcarbamoyloxythymyl)dimethylethyl-, iodideCarbamic acid, N-methyl-, 4-dimethylaminocarvacryl ester, ethiodideAMMONIUM, (6-HYDROXYTHYMYL)DIMETHYLETHYL-, IODIDE, METHYLCARBAMATERefChem:318961
Database identifiers
- CAS
64050-89-1- PubChem CID
- 47030
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 328
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Related reactions
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Compound notes
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