3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1)
Basic information
- CAS
71783-91-0- Standard SMILES
O=C(COc1ccc(Cl)cc1)OCCC[NH+]1CCCCCC1.[Cl-]- InChIKey
GBXJLSDHKAAWIU-UHFFFAOYSA-N- Molecular formula
- C17H25Cl2NO3
- Average molar mass
- 362.3 g/mol
- Monoisotopic mass
- 361.121149
Names & identifiers
- Preferred name
- 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1)
- IUPAC
- 3-(azepan-1-ium-1-yl)propyl 2-(4-chlorophenoxy)acetate chloride
Names & synonyms
71783-91-0DTXSID609924373-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1)RefChem:1066983DTXCID801419505Acetic acid, (4-chlorophenoxy)-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride(4-Chlorophenoxy)acetic acid 3-(hexahydro-1H-azepin-1-yl)propyl ester hydrochloride
Database identifiers
- CAS
71783-91-0- PubChem CID
- 51398
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…