1-Methylpiperazine - CAS 109-01-3

Catalog:	BB002371
Product Name:	1-Methylpiperazine
CAS:	109-01-3
Synonyms:	1-methylpiperazine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-methylpiperazine
Description:	1-Methylpiperazine (CAS# 109-01-3) is used in the preparation of 2-(4-Methyl-1-piperazinylmethyl)acrylophenone(MPMAP), an antimicrotubular drug. It is a COVID19-related research product.
Molecular Weight:	100.16
Molecular Formula:	C5H12N2
Canonical SMILES:	CN1CCNCC1
InChI:	InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3
InChI Key:	PVOAHINGSUIXLS-UHFFFAOYSA-N
Boiling Point:	138 °C
Density:	0.903 g/cm³
Appearance:	Clear light yellow hygroscopic liquid
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD00005966
LogP:	-0.21190
Vapor Pressure:	3.0 [mmHg]

Publication Number	Title	Priority Date
US-2016237052-A1	Histamine-3 Receptor Antagonists	20150218
US-2016237043-A1	Kdm1a inhibitors for the treatment of disease	20150212
US-2016237069-A1	Inhibition of olig2 activity	20150211
US-2016229872-A1	Isothiazolopyrimidinones, pyrazolopyrimidinones, and pyrrolopyrimidinones as ubiquitin-specific protease 7 inhibitors	20150205
US-2016185785-A1	Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors	20141230

PMID	Publication Date	Title	Journal
23010851	20121101	Disposition and metabolism of 14C-dovitinib (TKI258), an inhibitor of FGFR and VEGFR, after oral administration in patients with advanced solid tumors	Cancer chemotherapy and pharmacology
22213361	20121001	A high-sensitivity LC-MS/MS method for the determination of 4-methyl-piperazine-1-carbodithioc acid 3-cyano-3, 3-diphenylpropyl ester hydrochloride in rat plasma and its application to a pharmacokinetics study	Biomedical chromatography : BMC
22620675	20120703	Toward rational design of amine solutions for PCC applications: the kinetics of the reaction of CO2(aq) with cyclic and secondary amines in aqueous solution	Environmental science & technology
22553770	20120621	Simultaneous determination of four plant hormones in bananas by molecularly imprinted solid-phase extraction coupled with high performance liquid chromatography	The Analyst
22719620	20120601	5-Methyl-3,3-bis-(4-methyl-piperazin-1-yl)-1-[2-(4-methyl-piperazin-1-yl)eth-yl]indolin-2-one	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Piperazines

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(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1197237-96-9]
3-(4-Propylpiperazin-1-yl)propan-1-amine trihydrochloride
[1187874-30-1]
6-(4-(Piperazin-1-yl)-3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
[1217482-26-2]
(R)-piperazin-2-ylmethanol dihydrochloride
[16017-53-1]
1-(4-Chloro-benzenesulfonyl)-piperazine
[2171065-77-1]
N1-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)phenyl)-N4,N4-dimethylbenzene-1,4-disulfonamide

GHS Hazard Statement:	H226 (99.71%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P272, P280, P284, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P320, P321, P322, P333+P313, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	48
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.100048391
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	100.100048391
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4