1-(4-Methylbenzoyl)piperazine - CAS 111752-26-2

Catalog:	BB002795
Product Name:	1-(4-Methylbenzoyl)piperazine
CAS:	111752-26-2
Synonyms:	(4-methylphenyl)-(1-piperazinyl)methanone; (4-methylphenyl)-piperazin-1-ylmethanone

Technical Data

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Computed Properties

IUPAC Name:	(4-methylphenyl)-piperazin-1-ylmethanone
Description:	1-(4-Methylbenzoyl)piperazine (CAS# 111752-26-2) is a useful research chemical.
Molecular Weight:	204.27
Molecular Formula:	C12H16N2O
Canonical SMILES:	CC1=CC=C(C=C1)C(=O)N2CCNCC2
InChI:	InChI=1S/C12H16N2O/c1-10-2-4-11(5-3-10)12(15)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
InChI Key:	TXMSANPYZMHGOE-UHFFFAOYSA-N
Boiling Point:	368.9 °C at 760 mmHg
Density:	1.093 g/cm³
MDL:	MFCD04116566
LogP:	1.30710

Publication Number	Title	Priority Date
CN-112299938-A	Method for preparing amine compound by reducing amide compound	20201112
WO-2021099793-A1	1-aminosulfonyl-2-carboxypyrrole derivatives as metallo-beta-lactamase inhibitors	20191120
WO-2020190734-A1	Immunoconjugates targeting pd-l1	20190315
CN-109232443-A	Pyrimidone derivatives, preparation method and medical usage	20181029
CN-107445888-A	A kind of preparation method of bridged piperazine derivatives	20170822

PMID	Publication Date	Title	Journal
18837556	20081106	Synthesis of 5- and 6-carboxy-X-rhodamines	Organic letters

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.126263138
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.126263138
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1