Basic information
- CAS
80171-87-5- Standard SMILES
CCCOCc1cccc(NC(=O)OCC[NH+]2CCCCCC2)c1.[Cl-]- InChIKey
WDQGKIVMBPZVHL-UHFFFAOYSA-N- Molecular formula
- C19H31ClN2O3
- Average molar mass
- 370.9 g/mol
- Monoisotopic mass
- 370.2023205
Names & identifiers
- Preferred name
- Carbanilic acid, m-(propoxymethyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
- IUPAC
- 2-(azepan-1-ium-1-yl)ethyl N-[3-(propoxymethyl)phenyl]carbamate chloride
Names & synonyms
AMK 335m-(Propoxymethyl)carbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochlorideCarbanilic acid, m-(propoxymethyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride80171-87-5RefChem:333029
Database identifiers
- CAS
80171-87-5- PubChem CID
- 54531
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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