Basic information
- CAS
80171-83-1- Standard SMILES
CCCCOCc1ccccc1NC(=O)OCC[NH+]1CCCCCC1.[Cl-]- InChIKey
CIGRHTIBLDYHCH-UHFFFAOYSA-N- Molecular formula
- C20H33ClN2O3
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.2179706
Names & identifiers
- Preferred name
- Carbanilic acid, o-(butoxymethyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
- IUPAC
- 2-(azepan-1-ium-1-yl)ethyl N-[2-(butoxymethyl)phenyl]carbamate chloride
Names & synonyms
AMK 24580171-83-12-(Hexahydro-1H-azepin-1-yl)ethyl o-(butoxymethyl)carbanilate hydrochlorideCarbanilic acid, o-(butoxymethyl)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochlorideo-(Butoxymethyl)carbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochlorideRefChem:333087
Database identifiers
- CAS
80171-83-1- PubChem CID
- 54523
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
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