Basic information
- CAS
60558-09-0- Standard SMILES
CCCCOc1cccc(NC(=O)OCC[NH+]2CCCCCC2)c1.[Cl-]- InChIKey
ZUIARVUMQPKBDY-UHFFFAOYSA-N- Molecular formula
- C19H31ClN2O3
- Average molar mass
- 370.9 g/mol
- Monoisotopic mass
- 370.2023205
Names & identifiers
- Preferred name
- 2-(Azepan-1-yl)ethyl hydrogen (3-butoxyphenyl)carbonimidate--hydrogen chloride (1/1)
- IUPAC
- 2-(azepan-1-ium-1-yl)ethyl N-(3-butoxyphenyl)carbamate chloride
Names & synonyms
60558-09-0DTXSID309759742-(Azepan-1-yl)ethyl hydrogen (3-butoxyphenyl)carbonimidate--hydrogen chloride (1/1)RefChem:1061445DTXCID201403358Carbanilic acid, m-butoxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride2-(Hexahydro-1H-azepin-1-yl)ethyl m-butoxycarbanilate hydrochloridem-Butoxycarbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride
Database identifiers
- CAS
60558-09-0- PubChem CID
- 43328
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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