Basic information
- CAS
18144-51-9- Standard SMILES
O=C(c1cc2ccccc2oc1=O)N1CCCCC1- InChIKey
RPDYHHVRQGESJA-UHFFFAOYSA-N- Molecular formula
- C15H15NO3
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.10519334
Names & identifiers
- Preferred name
- Coumarin, 3-(piperidinocarbonyl)-
- IUPAC
- 3-(piperidine-1-carbonyl)chromen-2-one
- English name
- 3-(Piperidinocarbonyl)-2H-1-benzopyran-2-one
- Molecular formula
- C15H15NO3
- Molecular weight
- 257.28
Names & synonyms
18144-51-93-(Piperidinocarbonyl)coumarinCOUMARIN, 3-(PIPERIDINOCARBONYL)-BRN 0262898DTXSID401711474-20-00-01321 (Beilstein Handbook Reference)RefChem:334400DTXCID50936383-(piperidine-1-carbonyl)-2H-chromen-2-one3-(piperidine-1-carbonyl)chromen-2-one3-(PIPERIDIN-1-YLCARBONYL)COUMARIN3-(Piperidine-1-carbonyl)-2H-1-benzopyran-2-one
Show more names
3-(1-PIPERIDINYLCARBONYL)-2H-CHROMEN-2-ONE2H-1-Benzopyran-2-one, 3-(1-piperidinylcarbonyl)-
3-(Piperidinocarbonyl)-2H-1-benzopyran-2-oneMaybridge3_0002483-(piperidin-1-ylcarbonyl)-2H-chromen-2-oneOprea1_179320Oprea1_457811HMS1431L063-(piperidylcarbonyl)chromen-2-oneSTK760522
Database identifiers
- CAS
18144-51-9- PubChem CID
- 28913
- DTXSID
DTXSID40171147- EC Number
- 168-916-4
- Nikkaji
- J118.429F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 410
Physicochemical properties
- Melting point
- 186 °C · 186 °C(Solv: methanol (67-56-1))
- Boiling point
- 506.3 · 506.3±39.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- pka
- -1.19 · -1.19±0.20(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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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