1-(4-Aminobenzyl)-4-methylpiperazine - CAS 70261-82-4

Name: 1-(4-Aminobenzyl)-4-methylpiperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034114
Product Name:	1-(4-Aminobenzyl)-4-methylpiperazine
CAS:	70261-82-4
Synonyms:	4-[(4-methyl-1-piperazinyl)methyl]aniline; 4-[(4-methylpiperazin-1-yl)methyl]aniline

Technical Data

IUPAC Name:	4-[(4-methylpiperazin-1-yl)methyl]aniline
Description:	1-(4-Aminobenzyl)-4-methylpiperazine (CAS# 70261-82-4) is an intermediate used to prepare aminopyridopyrimidinones as tyrosine kinase inhibitors and anticancer agents. It is also used in the synthesis of piperazinyltrifluoromethylphenylquinolinylbenzonaphthyridinone derivatives with anticancer activities.
Molecular Weight:	205.30
Molecular Formula:	C12H19N3
Canonical SMILES:	CN1CCN(CC1)CC2=CC=C(C=C2)N
InChI:	InChI=1S/C12H19N3/c1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h2-5H,6-10,13H2,1H3
InChI Key:	NIXCVBFXLJWUTC-UHFFFAOYSA-N
Boiling Point:	331.2 °C at 760 mmHg
Density:	1.085 g/cm³
MDL:	MFCD03725418
LogP:	1.47320

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021067682-A1	Tricyclic kinase inhibitors and uses thereof	20191003
WO-2021017384-A1	Dihydro-pyrrolo-pyrimidine selective jak2 inhibitor	20190730
CN-111825605-A	Aryl ketone amide compound and preparation method and application thereof	20190419
WO-2020206583-A1	Kinase inhibitors and uses thereof	20190408
WO-2019196953-A1	Ntcp inhibitors	20180413

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.157897619
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.157897619
Rotatable Bond Count:	2
Topological Polar Surface Area:	32.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9