4-(2-chlorobenzyl)-N-[(1Z)-1-(4-nitrophenyl)ethylidene]piperazin-1-amine
Basic information
- CAS
307328-96-7- Standard SMILES
C/C(=N/N1CCN(Cc2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1- InChIKey
GKDCYDHTHCBRLI-QNGOZBTKSA-N- Molecular formula
- C19H21ClN4O2
- Average molar mass
- 372.8 g/mol
- Monoisotopic mass
- 372.1353036
Names & identifiers
- Preferred name
- 4-(2-chlorobenzyl)-N-[(1Z)-1-(4-nitrophenyl)ethylidene]piperazin-1-amine
- IUPAC
- (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-nitrophenyl)ethanimine
- English name
- (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-nitrophenyl)ethanimine
- Molecular formula
- C19H21ClN4O2
- Molecular weight
- 372.85
Names & synonyms
STL338032AKOS001630875307328-96-7Z56796888(Z)-4-(2-chlorobenzyl)-N-(1-(4-nitrophenyl)ethylidene)piperazin-1-amine4-(2-chlorobenzyl)-N-[(1Z)-1-(4-nitrophenyl)ethylidene]piperazin-1-amine(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-nitrophenyl)ethanimine(4-(2-CHLORO-BENZYL)-PIPERAZIN-1-YL)-(1-(4-NITRO-PHENYL)-ETHYLIDENE)-AMINE1-Piperazinamine, 4-[(2-chlorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylidene]-
Database identifiers
- CAS
307328-96-7- PubChem CID
- 5450192
- EC Number
- 158-990-6
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- Boiling point
- 504.5 · 504.5±60.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 6.63 · 6.63±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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