1-(Dimethylamino)-2-methyl-3-pentanone

HCID 3048729

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Grundinformationen

CAS: 51690-03-0
Standard-SMILES: CCC(=O)C(C)CN(C)C
InChIKey: QVWGKOYVOZJNRJ-UHFFFAOYSA-N
Summenformel: C8H17NO
Durchschnittliche Molmasse: 143,23 g/mol
Monoisotopische Masse: 143,13101417

Namen und Bezeichner

Bevorzugter Name: 1-(Dimethylamino)-2-methyl-3-pentanone
IUPAC: 1-(dimethylamino)-2-methylpentan-3-one
Englischer Name: 1-Dimethylamino-2-methylpentan-3-one
Summenformel: C8H17NO
Molmasse: 143.23

Namen und Synonyme

1-(dimethylamino)-2-methyl-3-pentanoneRefChem:427713696-151-051690-03-01-(dimethylamino)-2-methylpentan-3-one1-dimethylamino-2-methylpentan-3-one(1-N,N-Dimethylamino)-2-methylpentan-3-one3-Pentanone, 1-(dimethylamino)-2-methyl-MFCD13185946(1-N,N-Dimethylamino)-2-methyl-pentan-3-one1-(dimethylamino)-2-methyl-pentan-3-oneSCHEMBL669860

Weitere Namen anzeigen

3-Pentanone,1-(diMethylaMino)-2-Methyl-

DTXSID60388851QVWGKOYVOZJNRJ-UHFFFAOYSA-N1-Dimethylamino-2-methylpentanon-3AKOS015842693DS-0887SB75672SY030561DB-027400

Datenbank-Bezeichner

CAS: 51690-03-0
PubChem CID: 3048729
DTXSID: DTXSID60388851
EC Number: 696-151-0
Nikkaji: J1.997.997K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 20,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 10
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Siedepunkt: 59 · 59-61 °C(Press: 10 Torr)
Dichte: 0.8579 g/cm3 · 0.8579 g/cm3
storage temp.: 2 · 2-8°C
pka: 8.83 · 8.83±0.28(Predicted)
CAS Datenbank: 51690 · 51690-03-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 2 reports by companies.；There are 0 notifications provided by 0 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.