1-(Acetoxy)pyrrolidin-2,5-dion

Acetic acid N-hydroxysuccinimide ester

HCID 84460CAS 14464-29-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(=O)ON1C(=O)CCC1=O
InChIKey: SIFCHNIAAPMMKG-UHFFFAOYSA-N
Summenformel: C6H7NO4
Durchschnittliche Molmasse: 157,12 g/mol
Monoisotopische Masse: 157,0375077

Namen und Bezeichner

Bevorzugter Name: Acetic acid N-hydroxysuccinimide ester
IUPAC: (2,5-dioxopyrrolidin-1-yl) acetate
Lokaler Name: 1-(Acetoxy)pyrrolidin-2,5-dion
Englischer Name: N-Acetoxysuccinimide
Summenformel: C6H7NO4
Molmasse: 157.12

Namen und Synonyme

14464-29-0Succinimidyl acetateAcetic acid N-hydroxysuccinimide esterZP45BJG86LRefChem:426906238-454-9N-Acetoxysuccinimide2,5-Dioxopyrrolidin-1-yl acetate2,5-Pyrrolidinedione, 1-(acetyloxy)-(2,5-dioxopyrrolidin-1-yl) acetateN-Succinimidyl Acetate1-(Acetoxy)pyrrolidine-2,5-dione

Weitere Namen anzeigen

AC-OSu(NAS)Succinimide acetateSUCCINIMIDYL ACETATAcetic acid NHS esterN-SuccinimidylAcetate>AC-OSU N-AcetoxysucciniMide

Ac-OsuMFCD00037916EINECS 238-454-9acetic acid succinimidyl ester57212-69-8Acetic Acid N-Succinimidyl EsterAC1501acetic acid 2,5-dioxo-pyrrolidin-1-yl ester

Datenbank-Bezeichner

CAS: 14464-29-0
PubChem CID: 84460
DTXSID: DTXSID60162774
UNII: ZP45BJG86L
EC Number: 238-454-9
Nikkaji: J26.037A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,8
Polarare Oberfläche (TPSA): 63,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 207

Physikochemische Eigenschaften

Schmelzpunkt: 132 to · 132.0 to 136.0 °C
Siedepunkt: 238.4 · 238.4±23.0 °C(Predicted)
Dichte: 1.38 · 1.38±0.1 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly, Heated)
Aggregatzustand: Solid
Farbe: White to Off-White
Stabilität: Moisture Sensitive
InChI: InChI=1S/C6H7NO4/c1-4(8)11-7-5(9)2-3-6(7)10/h2-3H2,1H3
InChIKey: SIFCHNIAAPMMKG-UHFFFAOYSA-N
SMILES: N1(OC(C)=O)C(=O)CCC1=O
CAS Datenbank: 14464 · 14464-29-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (90.7%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.