4-(4-Methylpiperazin-1-yl)aniline

HCID 737253CAS 16153-81-4

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Grundinformationen

Standard-SMILES: CN1CCN(c2ccc(N)cc2)CC1
InChIKey: MOZNZNKHRXRLLF-UHFFFAOYSA-N
Summenformel: C11H17N3
Durchschnittliche Molmasse: 191,27 g/mol
Monoisotopische Masse: 191,14224754

Namen und Bezeichner

Bevorzugter Name: 4-(4-Methylpiperazin-1-yl)aniline
IUPAC: 4-(4-methylpiperazin-1-yl)aniline
Englischer Name: 4-(4-Methylpiperazino)aniline
Summenformel: C11H17N3
Molmasse: 191.27

Namen und Synonyme

4-(4-methylpiperazin-1-yl)anilineRefChem:514430675-543-516153-81-44-(4-Methylpiperazino)aniline4-(4-Methylpiperazin-1-yl)phenylamine4-(4-methyl-1-piperazinyl)aniline4-Methyl-1-(4-aminophenyl)piperazine1-(4-Aminophenyl)-4-methylpiperazineBenzenamine, 4-(4-methyl-1-piperazinyl)-MFCD001727034-(4-methylpiperazin-1-yl)benzenamine

Weitere Namen anzeigen

4-(4-MethyLAKOS B021941AKOS BB-8657piperazino)aniLART-CHEM-BB B021941OTAVA-BB BB7110920492

4-(4-Methyl-piperazin-1-yl)-phenylamineCHEMBL3414734-(4-methylpiperazinyl)phenylamineMLS000557450Oprea1_401071SCHEMBL56547SCHEMBL574835SCHEMBL574836

Datenbank-Bezeichner

CAS: 16153-81-4
PubChem CID: 737253
DTXSID: DTXSID90353214
ChEMBL: CHEMBL341473
EC Number: 675-543-5
Nikkaji: J2.530.376H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 32,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 167

Physikochemische Eigenschaften

Schmelzpunkt: 89 °C · 89 °C
Siedepunkt: 180 °C/5mmHg · 180°C/5mmHg(lit.)
Dichte: 1.092 · 1.092±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: DMSO (Sparingly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 8.08 · 8.08±0.42(Predicted)
Farbe: Very Dark Gray to Black
InChI: InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
InChIKey: MOZNZNKHRXRLLF-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(N2CCN(C)CC2)C=C1
CAS Datenbank: 16153 · 16153-81-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (27.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (27.3%)

Sicherheitsdaten

ridadr: 3259
hs_code: 29349990
risk_code: 34
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III

Chemie und Industrie

Anwendungen

Verwenden4-(4-Methylpiperazino)aniline is a reagent in the preparation of benzyloxypyridinone derivative which has c-Met kinase inhibitor properties.