Basic information
- CAS
315224-48-7- Standard SMILES
C/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1- InChIKey
HFUOOQMYYVNYNB-YZSQISJMSA-N- Molecular formula
- C23H23Cl2N3
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 411.1269031
Names & identifiers
- Preferred name
- N-[(1Z)-1-(3,4-dichlorophenyl)ethylidene]-4-(naphthalen-1-ylmethyl)piperazin-1-amine
- IUPAC
- (E)-1-(3,4-dichlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine
- English name
- (Z)-1-(3,4-dichlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine
- Molecular formula
- C23H23Cl2N3
- Molecular weight
- 412.36
Names & synonyms
N-[(1Z)-1-(3,4-dichlorophenyl)ethylidene]-4-(naphthalen-1-ylmethyl)piperazin-1-amine315224-48-7AKOS001023186ST500638111-[(1E)-2-(3,4-dichlorophenyl)-1-azaprop-1-enyl]-4-(naphthylmethyl)piperazineN-[(E)-1-(3,4-dichlorophenyl)ethylidene]-4-(1-naphthylmethyl)-1-piperazinamineN-(1-(3,4-DICHLOROPHENYL)ETHYLIDENE)-4-(1-NAPHTHYLMETHYL)-1-PIPERAZINAMINE1-Piperazinamine, N-[1-(3,4-dichlorophenyl)ethylidene]-4-(1-naphthalenylmethyl)-(Z)-1-(3,4-dichlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine
Database identifiers
- CAS
315224-48-7- PubChem CID
- 7410686
- EC Number
- 104-901-0
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 18.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 532
Physicochemical properties
- Boiling point
- 545.5 · 545.5±60.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 7.33 · 7.33±0.10(Predicted)
Chemistry & industry
Suppliers3 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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