(4-Aminophenyl)[4-(2-pyridinyl)piperazino]methanone
Basic information
- CAS
885949-69-9- Standard SMILES
Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1- InChIKey
MMRVFMRIJLTGHP-UHFFFAOYSA-N- Molecular formula
- C16H18N4O
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.14806121
Names & identifiers
- Preferred name
- (4-Aminophenyl)[4-(2-pyridinyl)piperazino]methanone
- IUPAC
- (4-aminophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
- English name
- (4-Aminophenyl)[4-(2-pyridinyl)piperazino]methanone
- Molecular formula
- C16H18N4O
- Molecular weight
- 282.34
Names & synonyms
885949-69-9(4-aminophenyl)[4-(2-pyridinyl)piperazino]methanone(4-Aminophenyl)(4-(pyridin-2-yl)piperazin-1-yl)methanone(4-Aminophenyl)[4-(2-pyridinyl)piperazino]-methanone(4-Aminophenyl)[4-(pyridin-2-yl)piperazin-1-yl]methanone4-[4-(pyridin-2-yl)piperazine-1-carbonyl]aniline(4-aminophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanoneMFCD06659555DTXSID301206171AKOS000151709CS-03260915Y-0217
Show more names
4-[(4-Pyridin-2-ylpiperazin-1-yl)carbonyl]anilineMethanone, (4-aminophenyl)[4-(2-pyridinyl)-1-piperazinyl]-4-{[4-(Pyridin-2-yl)piperazin-1-yl]carbonyl}aniline, 2-[4-(4-Aminobenzoyl)piperazin-1-yl]pyridine, 1-(4-Aminobenzoyl)-4-(pyridin-2-yl)piperazine
(4-aminophenyl)-[4-(2-pyridyl)piperazin-1-yl]methanone(4-Aminophenyl)[4-(2-pyridinyl)-1-piperazinyl]methanone
Database identifiers
- CAS
885949-69-9- PubChem CID
- 2764091
- DTXSID
DTXSID301206171
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Melting point
- 138 · 138
- Boiling point
- 539.6 · 539.6±50.0 °C(Predicted)
- Density
- 1.253 · 1.253±0.06 g/cm3(Predicted)
- pka
- 8.43 · 8.43±0.19(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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