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

AKOS B021944 · AKOS BB-7895 · ASISCHEM Z51464 · CHEMBRDG-BB 4010388 · ART-CHEM-BB B021944 · TIMTEC-BB SBB007133 · 2-(4-Methylpiperazino)aniline · 2-(4-Methylpiperazine)aniline

https://huagongshe.com/de/chemical/286547

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

Identifikatoren & physikalische Daten

CAS No.	180605-36-1
Summenformel	C11H17N3
Durchschnittliche Molmasse	191,27 g/mol
Monoisotopische Masse	191,14224754 g/mol
SMILES	CN1CCN(c2ccccc2N)CC1
InChIKey	INWHDRNGZMHXEZ-UHFFFAOYSA-N
PubChem CID	286547
ChEMBL	CHEMBL1879790
ChEBI	CHEBI:113157
EC No.	641-312-2
DTXSID	DTXSID60301626

Chemische & physikalische Eigenschaften

XLogP	1,2
Polarare Oberfläche (TPSA)	32,5
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	14
Formalladung	0
Komplexität	175
Schmelzpunkt	101 °C
Siedepunkt	321.2±37.0 °C(Predicted)
Dichte	1.092±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	7.91±0.40(Predicted)
Farbe	White to Light yellow
CAS Datenbank	180605-36-1(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (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.
Hazard Classes and Categories	Acute Tox. 4 (66.7%)
UN-Transportnummer	UN 3263 8/PG III
Zollcode	2933599590
R-Sätze (R)	20/21/22-34-36
Gefahrensymbole	T,Xi,C
hazard_note	Toxic
Sicherheitshinweise (S)	22-26-36/37/39-45
Gefahrenklasse	IRRITANT
Verpackungsgruppe	III

Anwendungen & Verwendung

Verwenden

2-(4-Methylpiperazin-1-yl)aniline is used in the preparation of small molecules such as inhibitors of SRC tyrosine kinase,