Basic information
- CAS
65720-16-3- Standard SMILES
CCCCCCCOc1ccccc1NC(=O)OCCC[NH+]1CCCCCC1.[Cl-]- InChIKey
WJZBIPTWGJJWSY-UHFFFAOYSA-N- Molecular formula
- C23H39ClN2O3
- Average molar mass
- 427 g/mol
- Monoisotopic mass
- 426.2649208
Names & identifiers
- Preferred name
- Carbanilic acid, o-(heptyloxy)-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride
- IUPAC
- 3-(azepan-1-ium-1-yl)propyl N-(2-heptoxyphenyl)carbamate chloride
Names & synonyms
BK-58Carbamic acid, (2-(heptyloxy)phenyl)-, 3-(hexahydro-1H-azepin-1-yl)propyl ester hydrochlorideCarbanilic acid, o-(heptyloxy)-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochlorideo-(Heptyloxy)carbanilic acid 3-(hexahydro-1H-azepin-1-yl)propyl ester hydrochloride65720-16-3RefChem:333100
Database identifiers
- CAS
65720-16-3- PubChem CID
- 47713
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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