2-Methylpiperazin

2-Methylpiperazine

HCID 66057CAS 109-07-9

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Grundinformationen

Standard-SMILES: CC1CNCCN1
InChIKey: JOMNTHCQHJPVAZ-UHFFFAOYSA-N
Summenformel: C5H12N2
Durchschnittliche Molmasse: 100,16 g/mol
Monoisotopische Masse: 100,10004838

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2-Methylpiperazine
IUPAC: 2-methylpiperazine
Lokaler Name: 2-Methylpiperazin
Englischer Name: 2-Methylpiperazine
Summenformel: C5H12N2
Molmasse: 100.16

Namen und Synonyme

2-Methylpiperazine109-07-9Piperazine, 2-methyl-2-methyl piperazineD0LWN1061PNSC-5277DTXSID10219002(s)-methyl piperazineRefChem:88369DTXCID901900203-644-2MFCD00005954

Weitere Namen anzeigen

MP2MPRZ2-methyl-piperazinPiperazine,2-methyl-2-Methylpiperazine>2-Methylpiperazine,98%2-Methylpiperazine ,99%2-Methylpiperazine, 97+%

2-METHYL-PIPERAZINE(+/-)-2-MethylpiperazineEINECS 203-644-2BRN 0383566UNII-D0LWN1061P2methylpiperazine2-methylpiperazin2-methypiperazine

Datenbank-Bezeichner

CAS: 109-07-9
PubChem CID: 66057
DTXSID: DTXSID1021900
UNII: D0LWN1061P
EC Number: 203-644-2
Nikkaji: J68.144J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,4
Polarare Oberfläche (TPSA): 24,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 54

Physikochemische Eigenschaften

Schmelzpunkt: 61 · 61-63 °C (lit.)
Siedepunkt: 155 °C/763 · 155 °C/763 mmHg (lit.)
Dichte: 0.817 g/cm · 0.817 g/cm
Brechungsindex: 1.4378 · 1.4378 (estimate)
Flammpunkt: 149 °F · 149 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: 435 g/l · 435g/l
pka: 1 · pK1:5.62(+2);pK2:9.60(+1) (25°C)
Aggregatzustand: Crystalline Powder, Crystals and/or Chunks
Farbe: White to yellow
PH: 11 · 11-12 (50g/l, H2O)
Wasserlöslichkeit: 78 g/100 · 78 g/100 mL (25 ºC)
BRN: 383566 · 383566
Henry's Law Constant: 5 · 5.0×103 mol/(m3Pa) at 25℃, Nguyen (2013)
InChI: 1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3
InChIKey: JOMNTHCQHJPVAZ-UHFFFAOYSA-N
SMILES: CC1CNCCN1
CAS Datenbank: 109 · 109-07-9(CAS DataBase Reference)
NIST chemische Informationen: 2 · Piperazine, 2-methyl-(109-07-9)
EPA chemische Informationen: 2 · Piperazine, 2-methyl- (109-07-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H228 (99.4%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 154 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.