N-Methylmeptazinol
Basic information
- CAS
103939-92-0- Standard SMILES
CCC1(c2cccc(O)c2)CCCC[N+](C)(C)C1- InChIKey
NOLDCYJGILSJLZ-UHFFFAOYSA-O- Molecular formula
- C16H26NO+
- Average molar mass
- 248.38 g/mol
- Monoisotopic mass
- 248.20143945
Names & identifiers
- Preferred name
- N-Methylmeptazinol
- IUPAC
- 3-(3-ethyl-1,1-dimethylazepan-1-ium-3-yl)phenol
- English name
- N-methylmeptazinol
- Molecular formula
- C16H26NO+
- Molecular weight
- 248.39
Names & synonyms
N-Methylmeptazinol103939-92-0RefChem:1638541H-Azepinium, 3-ethylhexahydro-3-(3-hydroxyphenyl)-1,1-dimethyl-DTXSID409086723-ETHYL-3-(3-HYDROXYPHENYL)-1,1-DIMETHYLAZEPAN-1-IUM3-(3-ethyl-1,1-dimethylazepan-1-ium-3-yl)phenol
Database identifiers
- CAS
103939-92-0- PubChem CID
- 128446
- DTXSID
DTXSID40908672
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 1
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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