Basic information
- CAS
315213-55-9- Standard SMILES
COc1cccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1- InChIKey
MXZIKZYHUUPXLS-KGENOOAVSA-N- Molecular formula
- C19H22ClN3O
- Average molar mass
- 343.8 g/mol
- Monoisotopic mass
- 343.14514
Names & identifiers
- Preferred name
- 4-(2-Chlorobenzyl)-N-(3-methoxybenzylidene)-1-piperazinamine
- IUPAC
- (E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methoxyphenyl)methanimine
- English name
- 4-(2-Chlorobenzyl)-N-(3-methoxybenzylidene)-1-piperazinamine
- Molecular formula
- C19H22ClN3O
- Molecular weight
- 343.85
Names & synonyms
4-(2-CHLOROBENZYL)-N-(3-METHOXYBENZYLIDENE)-1-PIPERAZINAMINEAKOS001614001BIM-0008432.P0011-Piperazinamine, 4-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methylene]-
Database identifiers
- CAS
315213-55-9- PubChem CID
- 5347669
- EC Number
- 122-177-4
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 28.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- Boiling point
- 495.576 · 495.576±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.169 · 1.169±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.403 · 6.403±0.70(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…