2,3-Dihydro-2-(2-(2-pyridyl)-ethyl)-1,4-phthalazinedione
Basic information
- CAS
4336-02-1- Standard SMILES
O=c1[nH]n(CCc2ccccn2)c(=O)c2ccccc12- InChIKey
SZCUIKPBXBGBRJ-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-(2-pyridyl)-ethyl)-1,4-phthalazinedione
- IUPAC
- 3-(2-pyridin-2-ylethyl)-2H-phthalazine-1,4-dione
- English name
- 3-(2-pyridin-2-ylethyl)-2H-phthalazine-1,4-dione
- Molecular formula
- C15H13N3O2
- Molecular weight
- 267.28
Names & synonyms
4336-02-12,3-DIHYDRO-2-(2-(2-PYRIDYL)-ETHYL)-1,4-PHTHALAZINEDIONERefChem:442294654-948-02-(2-(Pyridin-2-yl)ethyl)-2,3-dihydrophthalazine-1,4-dione6950-36-3NSC657432-[2-(Pyridin-2-yl)ethyl]-2,3-dihydrophthalazine-1,4-dioneNCIOpen2_008039SCHEMBL11413186DTXSID403288911,4-Phthalazinedione, 2,3-dihydro-2-[2-(2-pyridinyl)ethyl]-
Show more names
3-(2-pyridin-2-ylethyl)-2H-phthalazine-1,4-dione
AKOS024332794AG-G-706373-[2-(2-pyridyl)ethyl]-2H-phthalazine-1,4-dione
Database identifiers
- CAS
4336-02-1、6950-36-3- PubChem CID
- 414967
- DTXSID
DTXSID40328891- EC Number
- 654-948-0
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
- 385
Physicochemical properties
- Melting point
- 156 °C · 156 °C
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- pka
- 10.73 · 10.73±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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 39 reports by companies from 2 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
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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