2-(4-Methylpiperazin-1-yl)aniline

HCID 286547CAS 180605-36-1

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Grundinformationen

Standard-SMILES: CN1CCN(c2ccccc2N)CC1
InChIKey: INWHDRNGZMHXEZ-UHFFFAOYSA-N
Summenformel: C11H17N3
Durchschnittliche Molmasse: 191,27 g/mol
Monoisotopische Masse: 191,14224754

Überblick

2-(4-methyl-1-piperazinyl)aniline is a member of piperazines.

Namen und Bezeichner

Bevorzugter Name: 2-(4-Methylpiperazin-1-yl)aniline
IUPAC: 2-(4-methylpiperazin-1-yl)aniline
Englischer Name: 2-(4-Methylpiperazin-1-yl)aniline
Summenformel: C11H17N3
Molmasse: 191.27

Namen und Synonyme

2-(4-methylpiperazin-1-yl)aniline180605-36-1DTXSID60301626RefChem:252708DTXCID60252760641-312-22-(4-Methyl-1-piperazinyl)aniline2-(4-methylpiperazino)anilineBenzenamine, 2-(4-methyl-1-piperazinyl)-2-(4-Methyl-piperazin-1-yl)-phenylamineMFCD04035359CHEMBL1879790

Weitere Namen anzeigen

AKOS B021944AKOS BB-7895ASISCHEM Z51464CHEMBRDG-BB 4010388ART-CHEM-BB B021944TIMTEC-BB SBB0071332-(4-Methylpiperazine)aniline2-(4-Methyl-1-Piperazinyl)Anil2-(4-methylpiperazin-1-yl)anil

2-(4-methylpiperazinyl)phenylamineNSC1450031-(2-Aminophenyl)-4-methylpiperazineMLS000528973orb3031224SCHEMBL1926749SCHEMBL29036649SCHEMBL29586390

Datenbank-Bezeichner

CAS: 180605-36-1
PubChem CID: 286547
DTXSID: DTXSID60301626
ChEMBL: CHEMBL1879790
ChEBI: CHEBI:113157
EC Number: 641-312-2

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: 175

Physikochemische Eigenschaften

Schmelzpunkt: 101 °C · 101 °C
Siedepunkt: 321.2 · 321.2±37.0 °C(Predicted)
Dichte: 1.092 · 1.092±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: powder to crystal
pka: 7.91 · 7.91±0.40(Predicted)
Farbe: White to Light yellow
CAS Datenbank: 180605 · 180605-36-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (33.3%): 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, P403+P233, P405, and P501 (click each P-code to see the statement)

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