2-(Piperidin-1-yl)aniline

HCID 458795CAS 39643-31-7

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Grundinformationen

Standard-SMILES: Nc1ccccc1N1CCCCC1
InChIKey: OYECAJPUPWFCSL-UHFFFAOYSA-N
Summenformel: C11H16N2
Durchschnittliche Molmasse: 176,26 g/mol
Monoisotopische Masse: 176,13134851

Namen und Bezeichner

Bevorzugter Name: 2-(Piperidin-1-yl)aniline
IUPAC: 2-piperidin-1-ylaniline
Englischer Name: 2-PIPERIDINOANILINE
Summenformel: C11H16N2
Molmasse: 176.26

Namen und Synonyme

2-(piperidin-1-yl)anilineRefChem:461850678-669-92-Piperidinoaniline39643-31-7N-(2-Aminophenyl)piperidine2-(1-Piperidino)aniline2-piperidin-1-ylaniline2-Piperidin-1-yl-phenylamine2-(1-Piperidinyl)anilineMFCD000474672-(1-piperidyl)aniline

Weitere Namen anzeigen

AKOS B033104AKOS BB-8561ASISCHEM U80306BUTTPARK 96\57-89AKOS BBS-00006462TIMTEC-BB SBB003777

CHEMBL52206892-piperidylphenylamineBenzenamine, 2-(1-piperidinyl)-1-(2-aminophenyl)piperidine2-piperdinoanilinepiperidinyl benzenamineEnamine_0007942-piperidin-1-ylphenylamine

Datenbank-Bezeichner

CAS: 39643-31-7
PubChem CID: 458795
DTXSID: DTXSID30332568
ChEMBL: CHEMBL5220689
EC Number: 678-669-9
Nikkaji: J308.253I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 29,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 152

Physikochemische Eigenschaften

Schmelzpunkt: 44 · 44-48 °C
Siedepunkt: 96 °C · 96 °C (1 mmHg)
Dichte: 1.074 · 1.074±0.06 g/cm3(Predicted)
Flammpunkt: 96 · 96-98°C/1mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Crystals or Crystalline Powder
pka: 7.03 · 7.03±0.10(Predicted)
Farbe: Brown
BRN: 151856 · 151856
CAS Datenbank: 39643 · 39643-31-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

Sicherheitsdaten

ridadr: 2811
hs_code: 29333999
risk_code: 20/21/22-36
hazard_code: Xn,T,Xi
safety_code: 36/37
hazard_class: 6.1
packing_group: III

Chemie und Industrie

Anwendungen

Verwenden2-(1-Piperidino)aniline is used to prepare oxalylarylaminobenzoic acids as inhibitors of protein tyrosine phosphatase 1B. It is also used to synthesize benzimidazole derivatives as AMP-activated protein kinase activators.