Basic information
- CAS
80171-88-6- Standard SMILES
CCCCOCc1cccc(NC(=O)OCC[NH+]2CCCCCC2)c1.[Cl-]- InChIKey
SLSRTNXXQYNLTD-UHFFFAOYSA-N- Molecular formula
- C20H33ClN2O3
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.2179706
Names & identifiers
- Preferred name
- Carbanilic acid, m-(butoxymethyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
- IUPAC
- 2-(azepan-1-ium-1-yl)ethyl N-[3-(butoxymethyl)phenyl]carbamate chloride
Names & synonyms
AMK 3452-(Hexahydro-2H-azepin-1-yl)ethyl m-(butoxymethyl)carbanilate hydrochlorideCarbanilic acid, m-(butoxymethyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloridem-(Butoxymethyl)carbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride80171-88-6RefChem:333012
Database identifiers
- CAS
80171-88-6- PubChem CID
- 54533
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…