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

HCID 6950261

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Grundinformationen

CAS: 21655-48-1
Standard-SMILES: C[C@@H]1CNC[C@H](C)N1
InChIKey: IFNWESYYDINUHV-OLQVQODUSA-N
Summenformel: C6H14N2
Durchschnittliche Molmasse: 114,19 g/mol
Monoisotopische Masse: 114,11569845

Namen und Bezeichner

Bevorzugter Name: rel-(2R,6S)-2,6-dimethylpiperazine
IUPAC: (2R,6S)-2,6-dimethylpiperazine
Englischer Name: cis-2,6-Dimethylpiperazine
Summenformel: C6H14N2
Molmasse: 114.19

Namen und Synonyme

21655-48-1rel-(2R,6S)-2,6-DimethylpiperazineRefChem:178782606-812-7cis-2,6-Dimethylpiperazine(2R,6S)-2,6-dimethylpiperazineCIS-2,6-DIMETHYL-PIPERAZINE(2S,6R)-2,6-dimethylpiperazine(cis)-2,6-dimethylpiperazineMFCD077724351013625-96-1Cis-2,6-dimethyl piperazine

Weitere Namen anzeigen

AILDE-003cis-2,6-DimethyL2,6DIMETHYLPIPRAZINE2,6-Dimethylpiperazicis-2,6-DiMethylpiperObifloxacin EP Impurity Ecis-3,5-DiMethylpiperazineOrbifloxacin EP Impurity E

(2S,6R)-rel-2,6-Dimethylpiperazine; cis-3,5-Dimethylpiperazine;Piperazine, 2,6-dimethyl-, (2R,6S)-rel-(2r,6s)-rel-2,6-dimethylpiperazineVZ66VRZ5VR2,6-Dimethylpiperazine #2,6-cis-dimethylpiperazinecis 2,6-dimethylpiperazinecis-2,6 dimethylpiperazine

Datenbank-Bezeichner

CAS: 21655-48-1
PubChem CID: 6950261
DTXSID: DTXSID301296263
UNII: VZ66VRZ5VR
EC Number: 606-812-7
Nikkaji: J837.758H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 24,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 64,9

Physikochemische Eigenschaften

Schmelzpunkt: 108 · 108-111 °C(lit.)
Siedepunkt: 162 °C · 162 °C(lit.)
Dichte: 0.914 · 0.9140 (estimate)
Brechungsindex: 1.4628 · 1.4628 (estimate)
Flammpunkt: 113 °F · 113 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Wasserlöslichkeit: Completely soluble in water
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
Aggregatzustand: powder to crystal
pka: 9.38 · 9.38±0.60(Predicted)
Farbe: White to Orange to Green
InChI: InChI=1/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3/t5-,6+
InChIKey: IFNWESYYDINUHV-OLQVQODUNA-N
SMILES: C[C@@H]1CNC[C@@H](N1)C |&1:1,5,r|
CAS Datenbank: 21655 · 21655-48-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

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

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Sol. 2 (100%)

Sicherheitsdaten

F: 3-8-10-34
wgk: 3
ridadr: UN 1325 4.1/PG 2
hs_code: 29335990
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 26-36-24/25
hazard_class: 4.1
packing_group: III

Chemie und Industrie

Anwendungen

Verwendencis-2,6-Dimethylpiperazine is a very versatile reagent used in the preparation of biologically active compounds such as antibacterial agents.