2-Piperazinone, 3,3-dimethyl-

HCID 211157CAS 22476-74-0

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Grundinformationen

Standard-SMILES: CC1(C)NCCNC1=O
InChIKey: ZBFIRYWCOIYJDA-UHFFFAOYSA-N
Summenformel: C6H12N2O
Durchschnittliche Molmasse: 128,17 g/mol
Monoisotopische Masse: 128,09496301

Namen und Bezeichner

Bevorzugter Name: 2-Piperazinone, 3,3-dimethyl-
IUPAC: 3,3-dimethylpiperazin-2-one
Englischer Name: 3,3-DIMETHYLPIPERAZIN-2-ONE
Summenformel: C6H12N2O
Molmasse: 128.17

Namen und Synonyme

3,3-dimethylpiperazin-2-one22476-74-03,3-Dimethyl-2-piperazinone2-Piperazinone, 3,3-dimethyl-BRN 0112353Dimethyl-3,3 oxo-2 piperazineDimethyl-3,3 oxo-2 piperazine [French]DTXSID80177002RefChem:478272DTXCID0099493807-425-83,3-Dimethyl-piperazin-2-one

Weitere Namen anzeigen

3,3-dimethyl-2-azineone3,3-Dimethylpiperazin-2-on3,3-dimethylpiperazin-2-one(SALTDATA: FREE)

MFCD01701783F2182-0029Piperazinone, 3,3-dimethyl-3,3-dimethylpiperazine-2-one33-Dimethylpiperazin-2-oneSCHEMBL17727SCHEMBL1161491SCHEMBL2543453

Datenbank-Bezeichner

CAS: 22476-74-0
PubChem CID: 211157
DTXSID: DTXSID80177002
EC Number: 807-425-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,5
Polarare Oberfläche (TPSA): 41,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 131

Physikochemische Eigenschaften

Schmelzpunkt: 134 °C · 134 °C
Siedepunkt: 275 · 275.0±33.0 °C(Predicted)
Dichte: 0.96 · 0.960±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 15.55 · 15.55±0.40(Predicted)
InChI: InChI=1S/C6H12N2O/c1-6(2)5(9)7-3-4-8-6/h8H,3-4H2,1-2H3,(H,7,9)
InChIKey: ZBFIRYWCOIYJDA-UHFFFAOYSA-N
SMILES: N1CCNC(C)(C)C1=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.