Basic information
- CAS
80171-79-5- Standard SMILES
COCc1ccccc1NC(=O)OCC[NH+]1CCCCCC1.[Cl-]- InChIKey
HMUXBSMCLXYTNM-UHFFFAOYSA-N- Molecular formula
- C17H27ClN2O3
- Average molar mass
- 342.9 g/mol
- Monoisotopic mass
- 342.1710204
Names & identifiers
- Preferred name
- Carbanilic acid, o-(methoxymethyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
- IUPAC
- 2-(azepan-1-ium-1-yl)ethyl N-[2-(methoxymethyl)phenyl]carbamate chloride
Names & synonyms
AMK 215o-(Methoxymethyl)carbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochlorideCarbanilic acid, o-(methoxymethyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride80171-79-5RefChem:333110
Database identifiers
- CAS
80171-79-5- PubChem CID
- 54519
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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