1-Methylhomopiperazine

HCID 228349CAS 4318-37-0

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Grundinformationen

Standard-SMILES: CN1CCCNCC1
InChIKey: FXHRAKUEZPSMLJ-UHFFFAOYSA-N
Summenformel: C6H14N2
Durchschnittliche Molmasse: 114,19 g/mol
Monoisotopische Masse: 114,11569845

Namen und Bezeichner

Bevorzugter Name: 1-Methylhomopiperazine
IUPAC: 1-methyl-1,4-diazepane
Englischer Name: N-Methylhomopiperazine
Summenformel: C6H14N2
Molmasse: 114.19

Namen und Synonyme

1-MethylhomopiperazineRefChem:434623629-362-3N-Methylhomopiperazine1-Methyl-1,4-diazepane4318-37-0N-methyl homopiperazine1H-1,4-Diazepine, hexahydro-1-methyl-MFCD00059810Hexahydro-1-methyl-1H-1,4-diazepinemethylhomopiperazineN-methyl-1,4-diazacycloheptane

Weitere Namen anzeigen

MHPRZN-MethylhoMopiperazi-MethylhoMopiperazineN-Methylhomopiperazin1-Methyl-[1,4]diazepanPiperazine Impurity 36N-METHY1 Homo-Piperazines

N-methylhomopiperizine4-methyl-[1,4]-diazepane1-Methylhomopiperazine, 97%1-methylperhydro-1,4-diazepineF0001-1191Z1044792541-methyl-1,4-diazaperhydroepineNSC21211

Datenbank-Bezeichner

CAS: 4318-37-0
PubChem CID: 228349
DTXSID: DTXSID80281294
EC Number: 629-362-3
Nikkaji: J61.599D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,4
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 63,5

Experimentelle und physikochemische Eigenschaften

LogP-0.4

Physikochemische Eigenschaften

Siedepunkt: 74 · 74-75 °C/35 mmHg (lit.)
Dichte: 0.918 g/mL · 0.918 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.477(lit.)
Flammpunkt: 113 °F · 113 °F
storage temp.: -20 °C · -20°C
Aggregatzustand: liquid
pka: 10.82 · 10.82±0.20(Predicted)
InChI: InChI=1S/C6H14N2/c1-8-5-2-3-7-4-6-8/h7H,2-6H2,1H3
InChIKey: FXHRAKUEZPSMLJ-UHFFFAOYSA-N
SMILES: N1(C)CCCNCC1
CAS Datenbank: 4318 · 4318-37-0(CAS DataBase Reference)
NIST chemische Informationen: N-methyl homopiperazine(4318-37-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (97.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 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. Liq. 3 (97.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2920 8/PG 2
hs_code: 29339900
risk_code: 10-22-34
hazard_code: C
safety_code: 16-26-27-36/37/39-45
hazard_class: 4.1
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3Skin Corr. 1B

Chemie und Industrie

Anwendungen

Verwenden1-Methylhomopiperazine was used in the synthesis of:novel benzimidazole derivatives having pharmacological activitiesplatinum(II) substituted disulfide complexes