2,5-Dimethylpiperazine, trans-

HCID 220672CAS 2815-34-1

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Grundinformationen

Standard-SMILES: C[C@@H]1CN[C@@H](C)CN1
InChIKey: NSMWYRLQHIXVAP-OLQVQODUSA-N
Summenformel: C6H14N2
Durchschnittliche Molmasse: 114,19 g/mol
Monoisotopische Masse: 114,11569845

Namen und Bezeichner

Bevorzugter Name: 2,5-Dimethylpiperazine, trans-
IUPAC: (2R,5S)-2,5-dimethylpiperazine
Englischer Name: trans-2,5-Dimethylpiperazine
Summenformel: C6H14N2
Molmasse: 114.19

Namen und Synonyme

trans-2,5-Dimethylpiperazine2815-34-1(2R,5S)-2,5-dimethylpiperazine(2S,5R)-2,5-DimethylpiperazinePiperazine, 2,5-dimethyl-, trans-R1QQJ26FS6Piperazine, 2,5-dimethyl-, (2R,5S)-rel-2,5-Dimethylpiperazine, meso-2,5-Dimethylpiperazine (trans)NSC-3708DTXSID90878851MESO-2,5-DIMETHYLPIPERAZINE

Weitere Namen anzeigen

TECRLtrans-2SRD5A2L2trans-2,5-Dimethylpi5-DiMethylpiperazine2,5-Dimethylpiperazine3-enoyl-CoA reductase-likeTRANS-2,5-DIMETHYLPYRAZINETrans-2,5-Dimethylpiperzine

NSC 37082,5-DIMETHYLPIPERAZINE, TRANS-REL-(2R,5S)-2,5-DIMETHYLPIPERAZINERefChem:444596DTXCID601016880629-352-9MFCD00070516(2S,5R)-2,5-DIMETHYL-PIPERAZINE

Datenbank-Bezeichner

CAS: 2815-34-1
PubChem CID: 220672
DTXSID: DTXSID90878851
UNII: R1QQJ26FS6
EC Number: 629-352-9
Nikkaji: J110.472A

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: 62,9

Physikochemische Eigenschaften

Schmelzpunkt: 115 · 115-118 °C (lit.)
Siedepunkt: 162 · 162-165 °C (lit.)
Dichte: 0.53 · 0.53
Brechungsindex: 1.4628 · 1.4628 (estimate)
Flammpunkt: 137 °F · 137 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: 50 g/100 · 50 g/100 mL (20°C)
Aggregatzustand: powder to crystal
pka: 9.66 · 9.66(at 25℃)
Farbe: White to Orange to Green
Biologische Quelle: rabbit
Wasserlöslichkeit: 50 g/100 · 50 g/100 mL (20 ºC)
BRN: 79886 · 79886
InChI: 1S/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3/t5-,6+
InChIKey: NSMWYRLQHIXVAP-OLQVQODUSA-N
SMILES: C[C@H]1CN[C@H](C)CN1
CAS Datenbank: 2815 · 2815-34-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H228 (97.9%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P260, P262, P264, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P362+P364, P363, P370+P378, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Sol. 1 (97.9%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2926 4.1/PG 2
hs_code: 29335990
RTECS-Nr.: TL5950000
risk_code: 11-21-35-20/21/22-22-2017/11/21
hazard_code: F,Xn,C
safety_code: 16-27-36/37/39-7/9-45-33-26-36-7/8
hazard_class: 4.1
packing_group: III
Speicherklasse: 4.1B - Flammable solid hazardous materials
Hazard Classifications: Acute Tox. 3 DermalFlam. Sol. 1

Chemie und Industrie

Anwendungen

Verwendentrans-2,5-Dimethylpiperazine is a C-alkyl substituted piperazine used in the preparation of opioid receptor ligands as well as other biologically active compounds.