3,3-Dimethyl-2-piperazinone - CAS 22476-74-0

Catalog:	BB017634
Product Name:	3,3-Dimethyl-2-piperazinone
CAS:	22476-74-0
Synonyms:	3,3-dimethyl-2-piperazinone; 3,3-dimethylpiperazin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,3-dimethylpiperazin-2-one
Description:	3,3-Dimethyl-2-piperazinone (CAS# 22476-74-0) is a useful research chemical.
Molecular Weight:	128.17
Molecular Formula:	C6H12N2O
Canonical SMILES:	CC1(C(=O)NCCN1)C
InChI:	InChI=1S/C6H12N2O/c1-6(2)5(9)7-3-4-8-6/h8H,3-4H2,1-2H3,(H,7,9)
InChI Key:	ZBFIRYWCOIYJDA-UHFFFAOYSA-N
Boiling Point:	275 °C at 760 mmHg
Density:	0.96 g/cm³
MDL:	MFCD01701783
LogP:	0.14200

Publication Number	Title	Priority Date
WO-2021074769-A1	Combination therapy for treating a hematological malignancy	20191014
WO-2021007269-A1	Bicyclic heterocycles as fgfr inhibitors	20190709
WO-2020191261-A1	Indazoles as lrrk2 inhibitors	20190321
WO-2020132004-A1	Bet inhibitors for modulating dux4 expression in fshd	20181220
WO-2019193134-A1	Process for the preparation of 2,2-dimethylpiperazine	20180406

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.094963011
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	128.094963011
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5