Grundinformationen
- Standard-SMILES
CCN(CC)CCCC(C)=O- InChIKey
GRGNJBKJCVOFEO-UHFFFAOYSA-N- Summenformel
- C9H19NO
- Durchschnittliche Molmasse
- 157,25 g/mol
- Monoisotopische Masse
- 157,14666423
Namen und Bezeichner
- Bevorzugter Name
- 2-Pentanone, 5-(diethylamino)-
- IUPAC
- 5-(diethylamino)pentan-2-one
- Lokaler Name
- 5-Diethylaminopentan-2-on
- Englischer Name
- 5-Diethylamino-2-pentanone
- Summenformel
- C9H19NO
- Molmasse
- 157.25
Namen und Synonyme
5-Diethylamino-2-pentanone105-14-6Novol ketone2-PENTANONE, 5-(DIETHYLAMINO)-Novalketone5-(Diethylamino)-2-pentanone1-(Diethylamino)-4-pentanone5-(N,N-Diethylamino)pentan-2-oneDF 4935-Diethylaminopentan-2-oneAI3-08706NSC 6320
Weitere Namen anzeigen
df493Novolketon5-Diethylaminopentane-2-one5-(diethylamino)-2-pentanon
EINECS 203-274-1BRN 1749398DTXSID20218624-04-00-01935 (Beilstein Handbook Reference)RefChem:477838DTXCID301862203-274-15-(diethylamino)pentan-2-one
Datenbank-Bezeichner
- CAS
105-14-6- PubChem CID
- 7739
- DTXSID
DTXSID2021862- UNII
- 7T3TWL8CA7
- EC Number
- 203-274-1
- Nikkaji
- J49.706A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 20,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 108
Physikochemische Eigenschaften
- Siedepunkt
- 83 · 83-85 °C15 mm Hg(lit.)
- Dichte
- 0.861 g/mL · 0.861 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.434(lit.)
- Flammpunkt
- 150 °F · 150 °F
- storage temp.
- 2 · 2-8°C
- pka
- 10.27 · 10.27±0.25(Predicted)
- CAS Datenbank
- 105 · 105-14-6(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Pentanone, 5-(diethylamino)-(105-14-6)
- EPA chemische Informationen
- 5 · 5-Diethylamino-2-pentanone (105-14-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
0.62 [mg/m3]
6.9 [mg/m3]
41 [mg/m3]
Sicherheitsdaten
- wgk
- 3
- RTECS-Nr.
- SA8400000
- risk_code
- 36/37/38
- Toxizität
- LD50 ivn-mus: 190 mg/kg AIPTAK 145,233,63
- hazard_code
- Xi
- safety_code
- 26-36/37/39
Chemie und Industrie
Anwendungen
VerwendenPharmaceuticals.
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