Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester)
Basic information
- CAS
63982-53-6- Standard SMILES
CCCC[N+](C)(CCCC)c1cccc(OC(=O)NC)c1.[I-]- InChIKey
VEFHSUMSPKPJOX-UHFFFAOYSA-N- Molecular formula
- C17H29IN2O2
- Average molar mass
- 420.3 g/mol
- Monoisotopic mass
- 420.12738
Names & identifiers
- Preferred name
- Ammonium, dibutyl(m-hydroxyphenyl)methyl-, iodide, methylcarbamate (ester)
- IUPAC
- dibutyl-methyl-[3-(methylcarbamoyloxy)phenyl]azanium iodide
Names & synonyms
TL-1324Dibutyl(3-hydroxyphenyl)methylammonium iodide methylcarbamateCarbamic acid, N-methyl-, 3-dibutylaminophenyl ester, methiodideBenzenaminium, N,N-dibutyl-N-methyl-3-(methylamino)carbonyloxy-, iodideAMMONIUM, DIBUTYL(m-HYDROXYPHENYL)METHYL-, IODIDE, METHYLCARBAMATE (ester)63982-53-6RefChem:319202
Database identifiers
- CAS
63982-53-6- PubChem CID
- 46126
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 299
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Compound notes
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