Basic information
- CAS
80171-86-4- Standard SMILES
CCOCc1cccc(NC(=O)OCC[NH+]2CCCCCC2)c1.[Cl-]- InChIKey
JDYNDGQDPXQSSZ-UHFFFAOYSA-N- Molecular formula
- C18H29ClN2O3
- Average molar mass
- 356.9 g/mol
- Monoisotopic mass
- 356.1866705
Names & identifiers
- Preferred name
- Carbanilic acid, m-(ethoxymethyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
- IUPAC
- 2-(azepan-1-ium-1-yl)ethyl N-[3-(ethoxymethyl)phenyl]carbamate chloride
Names & synonyms
AMK 3252-(Hexahydro-1H-azepin-1-yl)ethyl m-(ethoxymethyl)carbanilate hydrochlorideCarbanilic acid, m-(ethoxymethyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloridem-(Ethoxymethyl)carbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride80171-86-4RefChem:333015
Database identifiers
- CAS
80171-86-4- PubChem CID
- 54529
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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