4-Amino-1-methylpiperidine

HCID 2737531CAS 41838-46-4

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Grundinformationen

Standard-SMILES: CN1CCC(N)CC1
InChIKey: ALOCUZOKRULSAA-UHFFFAOYSA-N
Summenformel: C6H14N2
Durchschnittliche Molmasse: 114,19 g/mol
Monoisotopische Masse: 114,11569845

Namen und Bezeichner

Bevorzugter Name: 4-Amino-1-methylpiperidine
IUPAC: 1-methylpiperidin-4-amine
Englischer Name: 1-Methylpiperidin-4-amine
Summenformel: C6H14N2
Molmasse: 114.19

Namen und Synonyme

4-Amino-1-methylpiperidine41838-46-4DTXSID80372116RefChem:97670DTXCID40323149609-960-01-methylpiperidin-4-amine4-Amino-1-methyl-piperidineMFCD015705491-METHYL-4-PIPERIDINAMINE1-methyl-4-piperidylamine1-methylpiperidine-4-amine

Weitere Namen anzeigen

4-Amino-1-methyL1-Methylpiperidin-4-1-Methylpiperidin-4-amin1-Methyl-4-Amino Piperidine(1-methyl-4-piperidyl)amine

methylpiperidin-4-amine1-methyl 4-piperidylamine4-amino-1-methylpiperdinen-methyl-4-aminopiperidine4-amino N-methylpiperidine1-methyl-4-aminopiperidine4-amino 1-methylpiperidine1-methylpiperidin-4-ylamine

Datenbank-Bezeichner

CAS: 41838-46-4
PubChem CID: 2737531
DTXSID: DTXSID80372116
EC Number: 609-960-0
Nikkaji: J1.521.450C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 29,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 64,9

Physikochemische Eigenschaften

Schmelzpunkt: 203 · 203-207
Siedepunkt: 62 · 62-64°C 1mm
Dichte: 0.91 · 0.91
Brechungsindex: 1.47 · 1.4700-1.4740
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: clear liquid
pka: 9.92 · 9.92±0.20(Predicted)
Farbe: Colorless to Light orange to Yellow
InChI: InChI=1S/C6H14N2/c1-8-4-2-6(7)3-5-8/h6H,2-5,7H2,1H3
InChIKey: ALOCUZOKRULSAA-UHFFFAOYSA-N
SMILES: N1(C)CCC(N)CC1
CAS Datenbank: 41838 · 41838-46-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.