rel-(2R,6S)-2,6-Dimethylpiperidine

HCID 641768CAS 766-17-6

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Grundinformationen

Standard-SMILES: C[C@@H]1CCC[C@H](C)N1
InChIKey: SDGKUVSVPIIUCF-KNVOCYPGSA-N
Summenformel: C7H15N
Durchschnittliche Molmasse: 113,2 g/mol
Monoisotopische Masse: 113,12044948

Überblick

See also: Nanofin (annotation moved to).

Namen und Bezeichner

Bevorzugter Name: rel-(2R,6S)-2,6-Dimethylpiperidine
IUPAC: (2R,6S)-2,6-dimethylpiperidine

Namen und Synonyme

RefChem:879129rel-(2R,6S)-2,6-Dimethylpiperidinecis-2,6-Dimethylpiperidine766-17-6(2R,6S)-2,6-dimethylpiperidinecis-Hexahydro-2,6-lutidinecis-2,6-Lupetidinecis-2,6-dimethyl-piperidine(2S,6R)-2,6-dimethylpiperidineMFCD00066304Piperidin, 2e,6e-dimethylNCGC00016653-01

Weitere Namen anzeigen

CAS-5072-45-7cis-Lupetidine(2R,6S)-rel-2,6-Dimethylpiperidine; cis-2,6-Dimethylpiperidine; (2R,6S)-2,6-Dimethylpiperidine; meso-2,6-Lupetidine; rel-(2R,6S)-2,6-Dimethylpiperidine;Prestwick0_000666Prestwick1_000666Prestwick2_000666Prestwick3_000666cis-26-Dimethylpiperidine

Datenbank-Bezeichner

CAS: 766-17-6
PubChem CID: 641768
DTXSID: DTXSID30859422
ChEMBL: CHEMBL1517793
EC Number: 616-362-3
Nikkaji: J853.999E

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: 62,8

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP1.53

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.