Basic information
- CAS
60558-06-7- Standard SMILES
CCCOc1cccc(NC(=O)OCC[NH+]2CCCCCC2)c1.[Cl-]- InChIKey
QSCNASYHPQLEPB-UHFFFAOYSA-N- Molecular formula
- C18H29ClN2O3
- Average molar mass
- 356.9 g/mol
- Monoisotopic mass
- 356.1866705
Names & identifiers
- Preferred name
- 2-(Azepan-1-yl)ethyl hydrogen (3-propoxyphenyl)carbonimidate--hydrogen chloride (1/1)
- IUPAC
- 2-(azepan-1-ium-1-yl)ethyl N-(3-propoxyphenyl)carbamate chloride
Names & synonyms
60558-06-7DTXSID509759712-(Azepan-1-yl)ethyl hydrogen (3-propoxyphenyl)carbonimidate--hydrogen chloride (1/1)RefChem:1061446DTXCID101403355Carbanilic acid, m-propoxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloridem-Propoxycarbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride
Database identifiers
- CAS
60558-06-7- PubChem CID
- 43322
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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