4,4-Dimethylpiperidine

HCID 138100CAS 4045-30-1

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Grundinformationen

Standard-SMILES: CC1(C)CCNCC1
InChIKey: IECMOFZIMWVOAS-UHFFFAOYSA-N
Summenformel: C7H15N
Durchschnittliche Molmasse: 113,2 g/mol
Monoisotopische Masse: 113,12044948

Namen und Bezeichner

Bevorzugter Name: 4,4-Dimethylpiperidine
IUPAC: 4,4-dimethylpiperidine
Englischer Name: 4,4-dimethylpiperidine
Summenformel: C7H15N
Molmasse: 113.2

Namen und Synonyme

4,4-DimethylpiperidineRefChem:507456810-568-94045-30-1Piperidine, 4,4-dimethyl-4,4-dimethyl-piperidineMFCD04037433NSC-1071164,4-dimethyl piperidineSCHEMBL188415SCHEMBL239429SCHEMBL5945963

Weitere Namen anzeigen

NSC 107116NISTC40453014,4-dimethylpiperidine - [D86696]4,4-Dimethylpiperidine hydrochloride4,4-dimethylpiperidine(SALTDATA: FREE)

SCHEMBL18049880SCHEMBL18049881DTXSID401934658S382NMD984,4-dimethylpiperidine, AldrichCPRAC8379AKOS004120672AB17027

Datenbank-Bezeichner

CAS: 4045-30-1
PubChem CID: 138100
DTXSID: DTXSID40193465
UNII: 8S382NMD98
EC Number: 810-568-9
Nikkaji: J313.897F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 68

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index882

Physikochemische Eigenschaften

Siedepunkt: 145 · 145-146℃
Dichte: 0.803 · 0.803±0.06 g/cm3 (20 ºC 760 Torr)
Brechungsindex: 1.4489 · 1.4489 (589.3 nm 25℃)
Flammpunkt: 24.9 · 24.9±16.5℃
storage temp.: 2 · 2-8°C, protect from light
Aggregatzustand: liquid
pka: 10.71 · 10.71±0.10(Predicted)
Farbe: Colourless

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (50%)；Skin Corr. 1B (100%)；STOT SE 3 (50%)

Sicherheitsdaten

ridadr: UN2735
hs_code: 2933399990
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden4,4-dimethylpiperidine (cas# 4045-30-1) is a useful reactant for the preparation of oral quinoline-based ALDH1A1 inhibitors as potential antitumor agents.