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3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile

3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile - CAS 15029-34-2

Catalog:	BB010516
Product Name:	3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile
CAS:	15029-34-2
Synonyms:	3-(4-methyl-1-piperazinyl)-3-oxopropanenitrile; 3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile
Description:	3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile (CAS# 15029-34-2) is a useful research chemical.
Molecular Weight:	167.21
Molecular Formula:	C8H13N3O
Canonical SMILES:	CN1CCN(CC1)C(=O)CC#N
InChI:	InChI=1S/C8H13N3O/c1-10-4-6-11(7-5-10)8(12)2-3-9/h2,4-7H2,1H3
InChI Key:	DJWSZBRFBMIGIW-UHFFFAOYSA-N
Boiling Point:	330.5 °C at 760 mmHg
MDL:	MFCD02186990
LogP:	-0.45012

Publication Number	Title	Priority Date
CN-111138466-A	Preparation method of novel BODIPY dynamic fluorescent probe and application of living cells in real-time detection of glutathione concentration change	20200109
AU-2018369787-A1	Immunoproteasome inhibitors	20171116
WO-2019099576-A1	Immunoproteasome inhibitors	20171116
CN-111491939-A	Immunoproteasome inhibitors	20171116
EP-3710457-A1	Immunoproteasome inhibitors	20171116

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Related Functional Groups

Nitrogen Compounds

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[1383427-98-2]
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[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]
1-Methyl-1-phenylhydrazine
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

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Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.105862047
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	167.105862047
Rotatable Bond Count:	1
Topological Polar Surface Area:	47.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6