1-Methyl-4-(4-methyl-3-nitrophenyl)piperazine - CAS 1034617-94-1

Catalog:	BB001142
Product Name:	1-Methyl-4-(4-methyl-3-nitrophenyl)piperazine
CAS:	1034617-94-1
Synonyms:	1-methyl-4-(4-methyl-3-nitrophenyl)piperazine; 1-methyl-4-(4-methyl-3-nitrophenyl)piperazine

Technical Data

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Computed Properties

IUPAC Name:	1-methyl-4-(4-methyl-3-nitrophenyl)piperazine
Description:	1-Methyl-4-(4-methyl-3-nitrophenyl)piperazine (CAS# 1034617-94-1 ) is a useful research chemical.
Molecular Weight:	235.28
Molecular Formula:	C12H17N3O2
Canonical SMILES:	CC1=C(C=C(C=C1)N2CCN(CC2)C)[N+](=O)[O-]
InChI:	InChI=1S/C12H17N3O2/c1-10-3-4-11(9-12(10)15(16)17)14-7-5-13(2)6-8-14/h3-4,9H,5-8H2,1-2H3
InChI Key:	ADKNCFVNZFZEFG-UHFFFAOYSA-N
LogP:	2.18110

Publication Number	Title	Priority Date
EP-2215091-A2	Substituted dihydropteridin-6-one derivatives, process for their preparation and their use as kinase inhibitors	20071204
EP-2215091-B1	Substituted dihydropteridin-6-one derivatives, process for their preparation and their use as kinase inhibitors	20071204
JP-2011505403-A	Substituted dihydropteridin-6-one derivatives, processes for their preparation and their use as kinase inhibitors	20071204
JP-5400791-B2	Substituted dihydropteridin-6-one derivatives, processes for their preparation and their use as kinase inhibitors	20071204
US-2011053944-A1	Substituted dihydropteridin-6-one derivatives, process for their preparation and their use as kinase inhibitors	20071204

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Complexity:	271
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.132076794
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	235.132076794
Rotatable Bond Count:	1
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4