N-(2-Aminoethyl)piperidin

N-(2-Aminoethyl)piperidine

HCID 33944CAS 27578-60-5

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Grundinformationen

Standard-SMILES: NCCN1CCCCC1
InChIKey: CJNRGSHEMCMUOE-UHFFFAOYSA-N
Summenformel: C7H16N2
Durchschnittliche Molmasse: 128,22 g/mol
Monoisotopische Masse: 128,13134851

Namen und Bezeichner

Bevorzugter Name: N-(2-Aminoethyl)piperidine
IUPAC: 2-piperidin-1-ylethanamine
Lokaler Name: N-(2-Aminoethyl)piperidin
Englischer Name: N-(2-Aminoethyl)piperidine
Summenformel: C7H16N2
Molmasse: 128.22

Namen und Synonyme

27578-60-5N-(2-AMINOETHYL)PIPERIDINE1-PiperidineethanamineEINECS 248-540-8AI3-11524DTXSID30181977NSC 54993RefChem:824985DTXCID70104468248-540-81-(2-Aminoethyl)piperidine2-(piperidin-1-yl)ethan-1-amine

Weitere Namen anzeigen

RARECHEM AL BW 0414LABOTEST-BB LT021006172-PiperidinoethanamineAMINO ETHYL PIPERIDINEN-AMINOETHYL PIPERIDINE1-PIPERIDINE ETHYLAMINE1-Piperidine ethanamine

2-piperidin-1-ylethanamine2-(piperidin-1-yl)ethanamine2-Piperidinoethylamine2-(1-Piperidinyl)ethanamineMFCD000065162-(1-Piperidinyl)ethylamine(2-Piperidin-1-ylethyl)amineN-Aminoethylpiperidine

Datenbank-Bezeichner

CAS: 27578-60-5
PubChem CID: 33944
DTXSID: DTXSID30181977
EC Number: 248-540-8
Nikkaji: J309C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 29,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 67,3

Physikochemische Eigenschaften

Schmelzpunkt: 67 · 67-70 °C(Solv: ligroine (8032-32-4); dichloromethane (75-09-2))
Siedepunkt: 186 °C · 186 °C(lit.)
Dichte: 0.899 g/mL · 0.899 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.473(lit.)
Flammpunkt: 136 °F · 136 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: Liquid
pka: 1 · pK1: 6.38;pK2: 9.89 (30°C)
Farbe: Clear colorless to yellow
Wasserlöslichkeit: Partly miscible in water.
BRN: 103469 · 103469
InChI: InChI=1S/C7H16N2/c8-4-7-9-5-2-1-3-6-9/h1-8H2
InChIKey: CJNRGSHEMCMUOE-UHFFFAOYSA-N
SMILES: N1(CCN)CCCCC1
CAS Datenbank: 27578 · 27578-60-5(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Piperidineethanamine(27578-60-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

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

Aggregated GHS information provided per 45 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 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2734 8/PG 2
hs_code: 29333990
risk_code: 34
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-(2-Aminoethyl)piperidine is used in modification of vinylbenzyl chloride/divinylbenzene gel copolymer bead and in the synthesis of linkage isomers trans-bis[1-(2-aminoethyl)piperidine]dinitronickel and trans-bis[1-(2-aminoethyl)-piperidine]dinitritonickel. It is also used as a reactant for synthesis of: analogs of anticancer agents, inhibitor of botulinum neurotoxin serotype A light chain, P. falciparum malaria, and Ebola filovirus, cannabinoid CB1 receptor antagonists, small molecules that restore E-cadherin expression and reduce invasion in colorectal carcinoma cells, potent and selective 5-HT6 antagonists and N-mustards as anticancer agents. 1-(2-Aminoethyl)piperidine on [1+1] condensation reaction with 3-methoxy salicylaldehyde yields tridentate Schiff base ligand.