2-Methylpiperazine, (S)-

HCID 2734219

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Grundinformationen

CAS: 74879-18-8
Standard-SMILES: C[C@H]1CNCCN1
InChIKey: JOMNTHCQHJPVAZ-YFKPBYRVSA-N
Summenformel: C5H12N2
Durchschnittliche Molmasse: 100,16 g/mol

Namen und Bezeichner

Bevorzugter Name: 2-Methylpiperazine, (S)-
IUPAC: (2S)-2-methylpiperazine
Englischer Name: (S)-(+)-2-Methylpiperazine
Summenformel: C5H12N2
Molmasse: 100.16

Namen und Synonyme

(S)-(+)-2-Methylpiperazine74879-18-8(S)-2-Methylpiperazine(2S)-2-methylpiperazinePIPERAZINE, 2-METHYL-, (2S)-2-Methylpiperazine, (S)-(S)-3-Methylpiperazine(-)-2-MethylpiperazineS-(-)-2-Methylpiperazine(S)-2-Methyl-1-piperazinePiperazine, 2-methyl-, (S)-C5VI3S1YC0

Weitere Namen anzeigen

S-MPCADR-011L-(+)-2-Meth2-(S)-METHYLPIPERAZINEL-(+)-2-MethylpiperazineS-(+)-2-methylpyperazine(S)-(+)-2-METHYLPIPERZINE

RefChem:476161627-535-8(S)-2-Methyl-PiperazineMFCD00171452UNII-C5VI3S1YC02(S)-methylpiperazine(S)-2-methylpiperazin(S)-2-methylpiperzine

Datenbank-Bezeichner

CAS: 74879-18-8
PubChem CID: 2734219
UNII: C5VI3S1YC0
EC Number: 627-535-8
Nikkaji: J872.074F

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: 91 · 91-93 °C(lit.)
Siedepunkt: 155 · 155-156 °C
Dichte: 0.9305 · 0.9305 (estimate)
Brechungsindex: 1.4378 · 1.4378 (estimate)
Flammpunkt: 149 °F · 149 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Crystalline Powder, Crystals and/or Chunks
pka: 9.31 · 9.31±0.40(Predicted)
Farbe: White to yellow
Wasserlöslichkeit: soluble
BRN: 3647995 · 3647995
InChI: 1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3/t5-/m0/s1
InChIKey: JOMNTHCQHJPVAZ-YFKPBYRVSA-N
SMILES: C[C@H]1CNCCN1
CAS Datenbank: 74879 · 74879-18-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H228 (95.7%): 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, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.