Basic information
- CAS
60558-19-2- Standard SMILES
CCCCCCCCOc1ccccc1NC(=O)OCC[NH+]1CCCCCC1.[Cl-]- InChIKey
NGBABOYYNGBCDE-UHFFFAOYSA-N- Molecular formula
- C23H39ClN2O3
- Average molar mass
- 427 g/mol
- Monoisotopic mass
- 426.2649208
Names & identifiers
- Preferred name
- Carbanilic acid, o-(octyloxy)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
- IUPAC
- 2-(azepan-1-ium-1-yl)ethyl N-(2-octoxyphenyl)carbamate chloride
Names & synonyms
Carbanilic acid, o-(octyloxy)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride60558-19-2o-(Octyloxy)carbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochlorideRefChem:333114
Database identifiers
- CAS
60558-19-2- PubChem CID
- 43340
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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