Basic information
- CAS
65720-15-2- Standard SMILES
CCCCCCOc1ccccc1NC(=O)OCCC[NH+]1CCCCCC1.[Cl-]- InChIKey
HLNZDKCCWKGODW-UHFFFAOYSA-N- Molecular formula
- C22H37ClN2O3
- Average molar mass
- 413 g/mol
- Monoisotopic mass
- 412.2492707
Names & identifiers
- Preferred name
- Carbanilic acid, o-(hexyloxy)-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride
- IUPAC
- 3-(azepan-1-ium-1-yl)propyl N-(2-hexoxyphenyl)carbamate chloride
Names & synonyms
BK-59Carbamic acid, (2-(hexyloxy)phenyl)-, 3-(hexahydro-1H-azepin-1-yl)propyl ester hydrochlorideCarbanilic acid, o-(hexyloxy)-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochlorideo-(Hexyloxy)carbanilic acid 3-(hexahydro-1H-azepin-1-yl)propyl ester hydrochloride65720-15-2RefChem:333107
Database identifiers
- CAS
65720-15-2- PubChem CID
- 47711
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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