N,N-Dimethylpiperidin-4-amin

N,N-Dimethylpiperidin-4-amine

HCID 417391CAS 50533-97-6

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Grundinformationen

Standard-SMILES: CN(C)C1CCNCC1
InChIKey: YFJAIURZMRJPDB-UHFFFAOYSA-N
Summenformel: C7H16N2
Durchschnittliche Molmasse: 128,22 g/mol
Monoisotopische Masse: 128,13134851

Überblick

N,N-Dimethyl-N-(4-piperidinyl)amine is an aminopiperidine.

Namen und Bezeichner

Bevorzugter Name: N,N-Dimethylpiperidin-4-amine
IUPAC: N,N-dimethylpiperidin-4-amine
Lokaler Name: N,N-Dimethylpiperidin-4-amin
Englischer Name: N,N-Dimethylpiperidin-4-amine
Summenformel: C7H16N2
Molmasse: 128.22

Namen und Synonyme

N,N-Dimethylpiperidin-4-amine50533-97-64-(dimethylamino)piperidineEINECS 256-617-2DTXSID50198542RefChem:822631DTXCID10121033256-617-24-Dimethylaminopiperidine4-Piperidinamine, N,N-dimethyl-4-dimethylamino piperidine4-dimethylamino-piperidine

Weitere Namen anzeigen

EOS-60858AKOS BB-9178CHEMBRDG-BB 4018153N,N-Dimethylpiperidin-4-aminN,N''-DIMETHYLAMINOPIPERIDINE4-DIMETHYLAMINO-PIPERIDINE 98%

MFCD00023144N,N-dimethyl-4-piperidinamine4-(n,n-dimethylamino)piperidineDimethyl-piperidin-4-yl-amineN,N-dimethyl-N-(4-piperidinyl)amineN,N-dimethylpiperidine-4-amineDimethylpiperidin-4-ylamine1-dimethyl-4-piperidinamine

Datenbank-Bezeichner

CAS: 50533-97-6
PubChem CID: 417391
DTXSID: DTXSID50198542
ChEMBL: CHEMBL176900
ChEBI: CHEBI:231274
UNII: WS2J4P7D5R
EC Number: 256-617-2
Nikkaji: J259.959G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 75

Physikochemische Eigenschaften

Siedepunkt: 187 °C · 187°C
Dichte: 1.09 g/ml · 1.09g/ml
Flammpunkt: 187 °C · 187°C
Brechungsindex: 1.476 · 1.4760
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: liquid
pka: 10.1 · 10.10±0.10(Predicted)
Farbe: Clear, colourless
BRN: 1190 · 1190
InChI: InChI=1S/C7H16N2/c1-9(2)7-3-5-8-6-4-7/h7-8H,3-6H2,1-2H3
InChIKey: YFJAIURZMRJPDB-UHFFFAOYSA-N
SMILES: N1CCC(N(C)C)CC1
CAS Datenbank: 50533 · 50533-97-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (62.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (62.5%)

Sicherheitsdaten

wgk: WGK 3
ridadr: 2734
hs_code: 2933399990
risk_code: 10-34-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Anwendungen

Verwenden4-(Dimethylamino)piperidine is having molecular features associated with polyamine modulation of N-methyl-D-aspartate receptors. It is utilized as a mechanism for reducing the effects of alcohol dependence.