1-(3-(5-(3-Nitrophenyl)-2-furyl)-2-propenoyl)piperidine
Basic information
- CAS
853351-08-3- Standard SMILES
O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCCCC1- InChIKey
DGAFVAKVFXOKOX-CSKARUKUSA-N- Molecular formula
- C18H18N2O4
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.12665706
Names & identifiers
- Preferred name
- 1-(3-(5-(3-Nitrophenyl)-2-furyl)-2-propenoyl)piperidine
- IUPAC
- (E)-3-[5-(3-nitrophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one
- English name
- (2E)-3-[5-(3-nitrophenyl)furan-2-yl]-1-(piperidin-1-yl)prop-2-en-1-one
- Molecular formula
- C18H18N2O4
- Molecular weight
- 326.35
Names & synonyms
853351-08-3RefChem:4230761-(3-(5-(3-nitrophenyl)-2-furyl)-2-propenoyl)piperidine664-521-01-{(2E)-3-[5-(3-nitrophenyl)-2-furyl]-2-propenoyl}piperidine3-(5-(3-Nitrophenyl)furan-2-yl)-1-(piperidin-1-yl)prop-2-en-1-oneF0494-0084(2E)-3-[5-(3-nitrophenyl)furan-2-yl]-1-(piperidin-1-yl)prop-2-en-1-oneSMSSF-0056723(E)-3-[5-(3-nitrophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-oneAKOS002792555SR-01000006477
Show more names
SR-01000006477-1(E)-3-[5-(m-nitrophenyl)-2-furyl]-1-piperidino-2-propen-1-one(E)-3-(5-(3-nitrophenyl)furan-2-yl)-1-(piperidin-1-yl)prop-2-en-1-one
Database identifiers
- CAS
853351-08-3- PubChem CID
- 5889461
- EC Number
- 664-521-0
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- Boiling point
- 553.233 · 553.233±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.267 · 1.267±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.976 · 1.976±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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