1,3-Dihydro-1,3-dioxo-2H-isoindole-2-butanal

HCID 77150

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Basic information

CAS: 3598-60-5
Standard SMILES: O=CCCCN1C(=O)c2ccccc2C1=O
InChIKey: WMXADABRNBNSJC-UHFFFAOYSA-N
Molecular formula: C12H11NO3
Average molar mass: 217.22 g/mol
Monoisotopic mass: 217.07389321

Names & identifiers

Preferred name: 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-butanal
IUPAC: 4-(1,3-dioxoisoindol-2-yl)butanal
English name: 4-(Phthalimidyl)butanal
Molecular formula: C12H11NO3
Molecular weight: 217.22

Names & synonyms

3598-60-5DTXSID101895372H-Isoindole-2-butanol, 1,3-dihydro-1,3-dioxo-RefChem:1052840DTXCID701120281,3-Dihydro-1,3-dioxo-2H-isoindole-2-butanal4-(1,3-DIOXOISOINDOLIN-2-YL)BUTANAL4-Phthalimidobutyraldehyde4-Phthalimidobutanal4-(1,3-dioxoisoindol-2-yl)butanal4-(Phthalimidyl)butanalMFCD00454178

Show more names

4-(1,3-Dioxoisoindolin-2-yl)4-(1,3-Dioxo-2-Isoindolinyl)Butanal4-(1,3-Diketoisoindolin-2-Yl)Butyraldehyde4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanal

Phthalimide, N-(3-formylpropyl)-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanal4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butanalBRN 00119262H-Isoindole-2-butanal, 1,3-dihydro-1,3-dioxo-4-PhthalimidylbutyraldehydeN-(3-Formylpropyl)phthalimideAmlodipine Impurity 166

Database identifiers

CAS: 3598-60-5
PubChem CID: 77150
DTXSID: DTXSID10189537
Nikkaji: J50.519F

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 54.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 289

Physicochemical properties

storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338