Basic information
- CAS
80171-85-3- Standard SMILES
CCCCCCOCc1ccccc1NC(=O)OCC[NH+]1CCCCCC1.[Cl-]- InChIKey
GWWPWHXCAYLDPK-UHFFFAOYSA-N- Molecular formula
- C22H37ClN2O3
- Average molar mass
- 413 g/mol
- Monoisotopic mass
- 412.2492707
Names & identifiers
- Preferred name
- Carbanilic acid, o-((hexyloxy)methyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
- IUPAC
- 2-(azepan-1-ium-1-yl)ethyl N-[2-(hexoxymethyl)phenyl]carbamate chloride
Names & synonyms
AMK 2652-(Hexahydro-1H-azepin-1-yl)ethyl o-((hexyloxy)methyl)carbanilate hydrochloride80171-85-3Carbanilic acid, o-((hexyloxy)methyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochlorideo-((Hexyloxy)methyl)carbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochlorideRefChem:333079
Database identifiers
- CAS
80171-85-3- PubChem CID
- 54527
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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