2,3-Dihydro-2-(2-(4-pyridyl)-ethyl)-1,4-phthalazinedione
Basic information
- CAS
4336-04-3- Standard SMILES
O=c1[nH]n(CCc2ccncc2)c(=O)c2ccccc12- InChIKey
LJBDJGSSXAENHY-UHFFFAOYSA-N- Molecular formula
- C15H13N3O2
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.10077667
Names & identifiers
- Preferred name
- 2,3-Dihydro-2-(2-(4-pyridyl)-ethyl)-1,4-phthalazinedione
- IUPAC
- 3-(2-pyridin-4-ylethyl)-2H-phthalazine-1,4-dione
- English name
- 2,3-Dihydro-2-(2-(4-pyridyl)-ethyl)-1,4-phthalazinedione
- Molecular formula
- C15H13N3O2
- Molecular weight
- 267.28
Names & synonyms
4336-04-32,3-DIHYDRO-2-(2-(4-PYRIDYL)-ETHYL)-1,4-PHTHALAZINEDIONERefChem:442295654-208-76950-37-42-(2-(4-Pyridinyl)ethyl)-2,3-dihydro-1,4-phthalazinedioneNSC 657442-(2-(Pyridin-4-yl)ethyl)-2,3-dihydrophthalazine-1,4-dioneNSC657442-[2-(Pyridin-4-yl)ethyl]-2,3-dihydrophthalazine-1,4-dione2-(2-(PYRIDIN-4-YL)ETHYL)-2,3-DIHYDRO-1,4-PHTHALAZINEDIONENCIOpen2_008079
Show more names
1,4-Phthalazinedione, 2,3-dihydro-2-[2-(4-pyridinyl)ethyl]-
SCHEMBL11411771DTXSID60219737AKOS0243329023-[2-(4-pyridyl)ethyl]-2H-phthalazine-1,4-dione
Database identifiers
- CAS
4336-04-3、6950-37-4- PubChem CID
- 414968
- DTXSID
DTXSID60219737- EC Number
- 654-208-7
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Melting point
- 146 °C · 146 °C
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- pka
- 10.74 · 10.74±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-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
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)
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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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