3-Methyl-2-ketopiperazine - CAS 23936-11-0

Name: 3-Methyl-2-ketopiperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018255
Product Name:	3-Methyl-2-ketopiperazine
CAS:	23936-11-0
Synonyms:	3-methylpiperazin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-methylpiperazin-2-one
Description:	3-Methyl-2-ketopiperazine (CAS# 23936-11-0) is a useful research chemical.
Molecular Weight:	114.15
Molecular Formula:	C5H10N2O
Canonical SMILES:	CC1C(=O)NCCN1
InChI:	InChI=1S/C5H10N2O/c1-4-5(8)7-3-2-6-4/h4,6H,2-3H2,1H3,(H,7,8)
InChI Key:	BSPUWRUTIOUGMZ-UHFFFAOYSA-N
Boiling Point:	289.6 °C at 760 mmHg
Density:	0.992 g/cm³
MDL:	MFCD00154705
LogP:	-0.24810

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[108397-75-7]C8H10N2O2
2,4,6-Trimethylpyrimidine-5-carboxylic Acid
[4313-03-5]C7H10O
2,4-Heptadienal
[328270-02-6]C11H16N2OS
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Piperazines

[25629-32-7]C6H10N2O3
(3-Oxopiperazin-1-yl)acetic acid
[1217482-26-2]C5H14Cl2N2O
(R)-piperazin-2-ylmethanol dihydrochloride
[1197236-47-7]C14H24ClN5O3
Ethyl 4-[2-(4-amino-3-methylpyrazol-1-yl)propanoyl]piperazine-1-carboxylate hydrochloride
[243128-46-3]C10H12FN3O2
1-(4-Fluoro-2-nitrophenyl)piperazine
[510725-49-2]C10H15N3.HCl
1-(Pyridin-3-ylmethyl)piperazine hydroChloride
[27469-60-9]C17H18F2N2
1-Bis(4-fluorophenyl)methyl piperazine

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P261, P264, P280, P285, P304+P341, P305+P351+P338, P337+P313, P342+P311, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2020243459-A1	Thiadiazolyl derivatives as dna polymerase theta inhibitors	20190531
WO-2020200284-A1	Preparation method for tricyclic compound and use of same in field of medicine	20190404
US-2020095250-A1	Pyrazolopyrimidine compounds and uses thereof	20180925
WO-2020068729-A1	Pyrazolo[4,3-d]pyrimidine compounds as alk2 abd/or fgfr modulators	20180925
TW-202028207-A	Pyrazolopyrimidine compounds and uses thereof	20180925

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.079312947
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	114.079312947
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7