1,3-Dihydro-1,3-dioxo-2H-isoindol-2-hexansure

1,3-Dihydro-1,3-dioxo-2H-isoindole-2-hexanoic acid

HCID 78185CAS 4443-26-9

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Grundinformationen

Standard-SMILES: O=C(O)CCCCCN1C(=O)c2ccccc2C1=O
InChIKey: QJDSLDWVMCWWCO-UHFFFAOYSA-N
Summenformel: C14H15NO4
Durchschnittliche Molmasse: 261,27 g/mol
Monoisotopische Masse: 261,10010796

Namen und Bezeichner

Bevorzugter Name: 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-hexanoic acid
IUPAC: 6-(1,3-dioxoisoindol-2-yl)hexanoic acid
Lokaler Name: 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-hexansure
Englischer Name: 6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-hexanoic acid
Summenformel: C14H15NO4
Molmasse: 261.27

Namen und Synonyme

6-(1,3-dioxoisoindol-2-yl)hexanoic acid2H-Isoindole-2-hexanoic acid, 1,3-dihydro-1,3-dioxo-Phthalimidocapronic acid6-phthalimidohexanoic acid1,3-Dihydro-1,3-dioxo-2H-isoindole-2-hexanoic acid940CG562FXDTXSID40196173.OMEGA.-PHTHALIMIDOCAPROIC ACID.EPSILON.-PHTHALIMIDOCAPROIC ACID6-(1,3-DIOXO-1,3-DIHYDROISOINDOL-2-YL)HEXANOIC ACIDRefChem:72672DTXCID50118664

Weitere Namen anzeigen

AURORA 700AKOS B006508AKOS AU36-M183AKOS BBS-00007598ART-CHEM-BB B006508OTAVA-BB BB0123400435O-Phthalimide-C5-acid6-PHTHALIMIDO HEXANOIC ACID6-Phthalimidylhexanoic acid

OMEGA-PHTHALIMIDOCAPROIC ACIDEPSILON-PHTHALIMIDOCAPROIC ACID4443-26-96-(1,3-dioxoisoindolin-2-yl)hexanoic acidn-(5-carboxypentyl)phthalimideMFCD002334996-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoic acid6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-hexanoic acid

Datenbank-Bezeichner

CAS: 4443-26-9
PubChem CID: 78185
DTXSID: DTXSID40196173
ChEMBL: CHEMBL79256
UNII: 940CG562FX
EC Number: 224-675-8
Nikkaji: J205.829D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 74,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 6
Schwere Atome: 19
Formalladung: 0
Komplexität: 356

Physikochemische Eigenschaften

Schmelzpunkt: 107 °C · 107 °C(Solv: water (7732-18-5))
Siedepunkt: 239 · 239-240 °C(Press: 3 Torr)
Dichte: 1.301 · 1.301±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 4.75 · 4.75±0.10(Predicted)
Farbe: White to Off-White

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Warning

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 05-07-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6137

Hazard Classes and CategoriesAcute Tox. 4 (95.1%)

Sicherheitsdaten

hs_code: 2925199590
hazard_code: Xi
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden6-(1,3-Dioxoisoindolin-2-yl)hexanoic Acid is used in the synthesis and characterization of antioxidant-functionalized multi-walled carbon nanotubes. It was also used in the synthesis of N-substituted isoindolinedione derivatives which displayed good anticovulsant activity when compared to sodium valproate.