(S)-N-Methylhydroxysuccinimide

HCID 13726417CAS 104612-35-3

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Grundinformationen

Standard-SMILES: CN1C(=O)C[C@H](O)C1=O
InChIKey: NLKACWKSCREJEL-VKHMYHEASA-N
Summenformel: C5H7NO3
Durchschnittliche Molmasse: 129,11 g/mol
Monoisotopische Masse: 129,04259308

Namen und Bezeichner

Bevorzugter Name: (S)-N-Methylhydroxysuccinimide
IUPAC: (3S)-3-hydroxy-1-methylpyrrolidine-2,5-dione
Englischer Name: (S)-(-)-2-HYDROXY-N-METHYLSUCCINIMIDE
Summenformel: C5H7NO3
Molmasse: 129.11

Namen und Synonyme

104612-35-3(S)-(-)-2-Hydroxy-N-methylsuccinimide(S)-N-MethylhydroxysuccinimideDTXSID601306198RefChem:408201DTXCID101736166626-121-4(S)-3-hydroxy-1-methylpyrrolidine-2,5-dione(3S)-3-HYDROXY-1-METHYLPYRROLIDINE-2,5-DIONE(3S)-3-Hydroxy-1-methyl-2,5-pyrrolidinedioneMFCD00221501(3S)-3-hydroxy-1-methyl-pyrrolidine-2,5-dione

Weitere Namen anzeigen

(S)-(-)-2-Hydroxy-N-methylsuccinimide 97%(S)-(-)-2-HYDROXY-N-METHYLSUCCINIMIDE, 9 7%S(-)-3-HYDROXY-1-METHYL-2,5-PYRROLIDINEDIONE2,5-Pyrrolidinedione, 3-hydroxy-1-methyl-, (3S)-(S)-(?)-2-Hydroxy-N-methylsuccinimide

(S)-3-Hydroxy-1-methyl-2,5-pyrrolidinedioneSCHEMBL7955137NLKACWKSCREJEL-VKHMYHEASA-NAKOS017343482FM25856DB-344930CS-0258606ST51037615

Datenbank-Bezeichner

CAS: 104612-35-3
PubChem CID: 13726417
DTXSID: DTXSID601306198
EC Number: 626-121-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,4
Polarare Oberfläche (TPSA): 57,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 166

Physikochemische Eigenschaften

Schmelzpunkt: 82 · 82-87 °C(lit.)
Siedepunkt: 140 °C · 140 °C(Press: 2 Torr)
Dichte: 1.438 · 1.438±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
Löslichkeit: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 11.25 · 11.25±0.20(Predicted)
Farbe: Off-White to Light Yellow
InChI: 1S/C5H7NO3/c1-6-4(8)2-3(7)5(6)9/h3,7H,2H2,1H3/t3-/m0/s1
InChIKey: NLKACWKSCREJEL-VKHMYHEASA-N
SMILES: CN1C(=O)C[C@H](O)C1=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.