N-(4-chloro-3-nitrophenyl)-2-(4-phenylpiperazino)acetamide
Basic information
- CAS
329778-79-2- Standard SMILES
O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
FHURAEQGIWGWSV-UHFFFAOYSA-N- Molecular formula
- C18H19ClN4O3
- Average molar mass
- 374.8 g/mol
- Monoisotopic mass
- 374.1145682
Names & identifiers
- Preferred name
- N-(4-chloro-3-nitrophenyl)-2-(4-phenylpiperazino)acetamide
- IUPAC
- N-(4-chloro-3-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
- English name
- N-(4-Chloro-3-nitrophenyl)-2-(4-phenylpiperazino)acetamide
- Molecular formula
- C18H19ClN4O3
- Molecular weight
- 374.82
Names & synonyms
329778-79-2N-(4-chloro-3-nitrophenyl)-2-(4-phenylpiperazino)acetamideN-(4-chloro-3-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamideN-(4-chloro-3-nitro-phenyl)-2-(4-phenylpiperazin-1-yl)acetamideMFCD01784539AKOS003973426JS-1680N-(4-chloro-3-nitrophenyl)-2-(4-phenyl-1-piperazinyl)acetamide1-Piperazineacetamide, N-(4-chloro-3-nitrophenyl)-4-phenyl-N-(4-CHLORO-3-NITRO-PHENYL)-2-(4-PHENYL-PIPERAZIN-1-YL)-ACETAMIDE
Database identifiers
- CAS
329778-79-2- PubChem CID
- 4178658
- EC Number
- 158-841-5
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 487
Physicochemical properties
- Boiling point
- 579.1 · 579.1±50.0 °C(Predicted)
- Density
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- pka
- 12.81 · 12.81±0.70(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, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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