1,5-Dimethylpyrrolidin-2-on

1,5-Dimethylpyrrolidin-2-one

HCID 101194CAS 5075-92-3

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Grundinformationen

Standard-SMILES: CC1CCC(=O)N1C
InChIKey: FILVIKOEJGORQS-UHFFFAOYSA-N
Summenformel: C6H11NO
Durchschnittliche Molmasse: 113,16 g/mol
Monoisotopische Masse: 113,08406397

Namen und Bezeichner

Bevorzugter Name: 1,5-Dimethylpyrrolidin-2-one
IUPAC: 1,5-dimethylpyrrolidin-2-one
Lokaler Name: 1,5-Dimethylpyrrolidin-2-on
Englischer Name: 1,5-Dimethyl-2-pyrrolidinone
Summenformel: C6H11NO
Molmasse: 113.16

Namen und Synonyme

1,5-Dimethylpyrrolidin-2-one2-Pyrrolidinone, 1,5-dimethyl-EINECS 225-783-8AI3-11312DTXSID60871112NSC 527837RefChem:417281DTXCID60818784225-783-81,5-Dimethyl-2-pyrrolidinone5075-92-3MFCD00003194

Weitere Namen anzeigen

1,5-Dimethyl-2-pyrrolizinone1,5-dimethyl-2-pyrolidineone5,N-Dimethyl-2-pyrrolidinone1,5-Dimethylpyrrolidine-2-one1 5-DIMETHYL-2-PYRROLIDINONE 95%

1,5-dimethyl-2-pyrrolidoneNSC527837SCHEMBL2621261,5-dimethyl-pyrrolidin-2-oneA8282831,5-Dimethyl-2-pyrrolidinone, 95%NSC-527837D86499

Datenbank-Bezeichner

CAS: 5075-92-3
PubChem CID: 101194
DTXSID: DTXSID60871112
EC Number: 225-783-8
Nikkaji: J203.280E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 20,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 111

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

LogP-0.07

Physikochemische Eigenschaften

Siedepunkt: 215 · 215-217 °C/743 mmHg (lit.)
Dichte: 0.982 g/mL · 0.982 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.465(lit.)
Flammpunkt: 193 °F · 193 °F
pka: -0.35 · -0.35±0.40(Predicted)
Aggregatzustand: liquid
InChI: InChI=1S/C6H11NO/c1-5-3-4-6(8)7(5)2/h5H,3-4H2,1-2H3
InChIKey: FILVIKOEJGORQS-UHFFFAOYSA-N
SMILES: N1(C)C(C)CCC1=O
EPA chemische Informationen: 2 · 2-Pyrrolidinone, 1,5-dimethyl- (5075-92-3)

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 53 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 1 Eintrag

2-Pyrrolidinone, 1,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pyrrolidinone, 1,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazard Classes and CategoriesSkin Irrit. 2 (100%)