Basic information
- CAS
60558-10-3- Standard SMILES
CCCCOc1ccc(NC(=O)OCC[NH+]2CCCCCC2)cc1.[Cl-]- InChIKey
RSCKXXQRUKOQEA-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 (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)
- IUPAC
- 2-(azepan-1-ium-1-yl)ethyl N-(4-butoxyphenyl)carbamate chloride
Names & synonyms
60558-10-3DTXSID909759752-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)RefChem:1061441DTXCID901403359Carbanilic acid, p-butoxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride2-(Hexahydro-1H-azepin-1-yl)ethyl p-butoxycarbanilate hydrochloridep-Butoxycarbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride
Database identifiers
- CAS
60558-10-3- PubChem CID
- 43330
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
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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