2,5-dioxopyrrolidin-1-yl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoate

HCID 4620597

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Grundinformationen

CAS: 55750-62-4
Standard-SMILES: O=C(CCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIKey: JKHVDAUOODACDU-UHFFFAOYSA-N
Summenformel: C11H10N2O6
Durchschnittliche Molmasse: 266,21 g/mol
Monoisotopische Masse: 266,05388604

Namen und Bezeichner

Bevorzugter Name: 2,5-dioxopyrrolidin-1-yl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoate
IUPAC: (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
Englischer Name: N-Succinimidyl 3-maleimidopropionate
Summenformel: C11H10N2O6
Molmasse: 266.21

Namen und Synonyme

2,5-Dioxopyrrolidin-1-yl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoateSuccinimidyl 3-maleimidopropionateRefChem:444656627-755-455750-62-4N-Succinimidyl 3-maleimidopropionateBMPS3-(Maleimido)propionic acid N-hydroxysuccinimide ester(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate3-Maleimidopropionic acid N-hydroxysuccinimide ester3-Maleimidopropionic Acid N-Succinimidyl EsterBMPS Crosslinker

Weitere Namen anzeigen

Mal-beta-Ala-OSuMaleiMide-(CH2)2-NHSCross-linkingReagentNHS-(CH2)2-Mal (BMPS)

MFCD000431413-Maleimido-propionic NHS esterN-(3-Maleimidopropionyloxy)succinimideMaleimide-(CH2)2-COONHS3-Maleimidopropionic acid NHSsuccinimido 3-maleimidopropanoaten-succinimidyl-3-maleimidopropionate1H-Pyrrole-2,5-dione, 1-[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl]-

Datenbank-Bezeichner

CAS: 55750-62-4
PubChem CID: 4620597
DTXSID: DTXSID30404976
EC Number: 627-755-4
Nikkaji: J308.878B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,6
Polarare Oberfläche (TPSA): 101 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 5
Schwere Atome: 19
Formalladung: 0
Komplexität: 475

Physikochemische Eigenschaften

Schmelzpunkt: 168 · 168-170 °C(lit.)
Siedepunkt: 448.8 · 448.8±47.0 °C(Predicted)
Dichte: 1.55 · 1.55±0.1 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: -2.39 · -2.39±0.20(Predicted)
Farbe: White to Light Brown
Wasserlöslichkeit: Insoluble in water.
BRN: 1492578 · 1492578
InChI: InChI=1S/C11H10N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h1-2H,3-6H2
InChIKey: JKHVDAUOODACDU-UHFFFAOYSA-N
SMILES: N1(CCC(ON2C(=O)CCC2=O)=O)C(=O)C=CC1=O
CAS Datenbank: 55750 · 55750-62-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Warning

H315 (13%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (13%)

Sicherheitsdaten

F: 10-21
wgk: 3
hs_code: 29280000
risk_code: 37
hazard_code: Xi
safety_code: 26-36/37/39-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenA short, sulfhydryl and amino reactive heterobifunctional crosslinking reagent, N-Succinimidyl 3-maleimidopropionate can also been used in immunodiagnostics.