Basic information
- CAS
60529-87-5- Standard SMILES
CCCOc1ccccc1NC(=O)OCC[NH+]1CCCCCC1.[Cl-]- InChIKey
RIGSESPSAORXPG-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 (2-propoxyphenyl)carbonimidate--hydrogen chloride (1/1)
- IUPAC
- 2-(azepan-1-ium-1-yl)ethyl N-(2-propoxyphenyl)carbamate chloride
Names & synonyms
60529-87-5DTXSID609759422-(Azepan-1-yl)ethyl hydrogen (2-propoxyphenyl)carbonimidate--hydrogen chloride (1/1)RefChem:1061444DTXCID401403328Carbanilic acid, o-propoxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochlorideo-Propoxycarbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride
Database identifiers
- CAS
60529-87-5- PubChem CID
- 43294
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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