2-Methylpiperazine - CAS 109-07-9

Catalog:	BB002377
Product Name:	2-Methylpiperazine
CAS:	109-07-9
Synonyms:	2-methylpiperazine

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Computed Properties

IUPAC Name:	2-methylpiperazine
Description:	2-Methylpiperazine (CAS# 109-07-9) is used as a reagent in the design, synthesis and biological evaluation of diaminoquinazolines as β-catenine/Tcell transcription factor 4 (Tcf4) pathway inhibitor.
Molecular Weight:	100.16
Molecular Formula:	C5H12N2
Canonical SMILES:	CC1CNCCN1
InChI:	InChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3
InChI Key:	JOMNTHCQHJPVAZ-UHFFFAOYSA-N
Boiling Point:	154-156 °C
Melting Point:	61-66 °C
Purity:	98 %
Density:	154 g/cm³
Appearance:	White to yellow solid
Storage:	Flammables area
MDL:	MFCD00005954
LogP:	0.22530

Publication Number	Title	Priority Date
WO-2015197503-A1	Imidazo[1,2-a]pyrazin-1yl-benzamide compounds for treating spinal muscular atrophy	20140625
WO-2015200677-A2	Prmt5 inhibitors and uses thereof	20140625
US-2015368238-A1	SUBSTITUTED IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TrkA) INHIBITORS	20140623
WO-2015200341-A1	Substituted imidazo[1,2-a]pyridine compounds useful for the treatment of pain	20140623
WO-2015193167-A1	Pyrazolo-pyridine derivatives as kinase inhibitors	20140617

PMID	Publication Date	Title	Journal
23003324	20121015	Role of hydrogen-bonding in the formation of polar achiral and nonpolar chiral vanadium selenite frameworks	Inorganic chemistry
22346850	20120201	Poly[piperazine-1,4-diium [μ(4)-chlorido-μ(3)-chlorido-tri-μ(2)-chlorido-chloridodicadmate(II)] monohydrate]	Acta crystallographica. Section E, Structure reports online
22199876	20111201	(2R)-4-[(9H-Fluoren-9-ylmeth-oxy)carbon-yl]-2-methyl-piperazin-1-ium chloride	Acta crystallographica. Section E, Structure reports online
21959969	20111121	Synthesis, characterization and magnetic properties of four new organically templated metal sulfates [C5H14N2][M(II)(H2O)6](SO4)2, (M(II) = Mn, Fe, Co, Ni)	Dalton transactions (Cambridge, England : 2003)
21753932	20110401	Bis[(2S,4S)-4-(2-hy-droxy-eth-yl)-2-methyl-piperazine-1,4-diium] di-μ-chlorido-bis-[trichloridocadmium(II)]	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H228 (97.96%): Flammable solid [Danger Flammable solids]
Precautionary Statement:	P210, P240, P241, P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	54
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	100.100048391
Rotatable Bond Count:	0
Topological Polar Surface Area:	24.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4