4-[(4-Methyl-1-piperazinyl)methyl]benzylamine - CAS 515162-20-6

Catalog:	BB027469
Product Name:	4-[(4-Methyl-1-piperazinyl)methyl]benzylamine
CAS:	515162-20-6
Synonyms:	[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine

Technical Data

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Computed Properties

IUPAC Name:	[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
Description:	4-[(4-Methyl-1-piperazinyl)methyl]benzylamine (CAS# 515162-20-6) is a useful research chemical.
Molecular Weight:	219.33
Molecular Formula:	C13H21N3
Canonical SMILES:	CN1CCN(CC1)CC2=CC=C(C=C2)CN
InChI:	InChI=1S/C13H21N3/c1-15-6-8-16(9-7-15)11-13-4-2-12(10-14)3-5-13/h2-5H,6-11,14H2,1H3
InChI Key:	HILINUGDTTXRNZ-UHFFFAOYSA-N
Boiling Point:	336.5 °C at 760 mmHg
Density:	1.0154 g/cm³
Appearance:	Colorless to yellow liquid and/or solid
MDL:	MFCD08060530
LogP:	1.46880

Publication Number	Title	Priority Date
CA-3072698-A1	Sulfonamide derivatives as stat3 inhibitors for the treatment of proliferative diseases	20170811
EP-3665164-A1	Sulfonamide derivatives as stat3 inhibitors for the treatment of proliferative diseases	20170811
US-2020216432-A1	Sulfonamide derivatives as stat3 inhibitors for the treatment of proliferative diseases	20170811
WO-2019030538-A1	SULFONAMIDE DERIVATIVES AS STAT3 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES	20170811
JP-2020529451-A	Sulfonamide derivatives as STAT3 inhibitors for the treatment of proliferative disorders	20170811

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Related Functional Groups

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[1191255-65-8]
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[1197236-47-7]
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[27106-51-0]
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[860227-61-8]
3-(4-Methylpiperazin-1-yl)propan-1-ol hydrochloride

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.173547683
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.173547683
Rotatable Bond Count:	3
Topological Polar Surface Area:	32.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4