Basic information
- CAS
87576-04-3- Standard SMILES
O=C(COc1ccc(Cl)cc1)NNCC[NH+]1CCCCCC1.[Cl-]- InChIKey
BBYJNYWBBULQAW-UHFFFAOYSA-N- Molecular formula
- C16H25Cl2N3O2
- Average molar mass
- 362.3 g/mol
- Monoisotopic mass
- 361.1323824
Names & identifiers
- Preferred name
- Acetic acid, (4-chlorophenoxy)-, 2-(2-(hexahydro-1H-azepin-1-yl)ethyl)hydrazide, monohydrochloride
- IUPAC
- N'-[2-(azepan-1-ium-1-yl)ethyl]-2-(4-chlorophenoxy)acetohydrazide chloride
Names & synonyms
87576-04-3(4-Chlorophenoxy)acetic acid 2-(2-(hexahydro-1H-azepin-1-yl)ethyl)hydrazide hydrochlorideAcetic acid, (4-chlorophenoxy)-, 2-(2-(hexahydro-1H-azepin-1-yl)ethyl)hydrazide, monohydrochlorideRefChem:316265
Database identifiers
- CAS
87576-04-3- PubChem CID
- 55740
Properties
Computed structural properties
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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