Basic information
- CAS
60558-14-7- Standard SMILES
CCCCCCOc1ccccc1NC(=O)OCC[NH+]1CCCCCC1.[Cl-]- InChIKey
KVGZBJCHPHMRDY-UHFFFAOYSA-N- Molecular formula
- C21H35ClN2O3
- Average molar mass
- 399 g/mol
- Monoisotopic mass
- 398.2336207
Names & identifiers
- Preferred name
- Carbanilic acid, o-(hexyloxy)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
- IUPAC
- 2-(azepan-1-ium-1-yl)ethyl N-(2-hexoxyphenyl)carbamate chloride
Names & synonyms
Carbanilic acid, o-(hexyloxy)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride60558-14-72-(Hexahydro-1H-azepin-1-yl)ethyl o-(hexyloxy)carbanilate hydrochlorideo-(Hexyloxy)carbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochlorideRefChem:333105
Database identifiers
- CAS
60558-14-7- PubChem CID
- 43338
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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