AG003D0H

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

AG003D0H

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CAS Number	111752-26-2
Catalog Number	AG003D0H(AGN-PC-0KKNYK)
Chemical Name	1-(4-Methylbenzoyl)piperazine
IUPAC Name	(4-methylphenyl)-piperazin-1-ylmethanone
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
MDL Number	MFCD04116566
Molecular Formula	C12H16N2O
Molecular Weight	204.2682
SMILES	O=C(N1CCNCC1)C2=CC=C(C)C=C2
Synonyms	1-(4-methylbenzoyl)piperazine, 111752-26-2, Piperazin-1-yl(p-tolyl)methanone, 1-(4-Methyl-benzoyl)-piperazine, 1-[(4-methylphenyl)carbonyl]piperazine, Piperazin-1-yl-p-tolyl-methanone, Piperazine, 1-(4-methylbenzoyl)-, (4-methylphenyl)(piperazin-1-yl)methanone, Methanone,(4-methylphenyl)-1-piperazinyl-, ACMC-20dks6, (4-methylphenyl)-piperazin-1-yl-methanone, AC1MC2PH, AC1Q2JT3, piperazin-1-yl-p-tolylmethanone, SCHEMBL12017808, 4-methylphenyl piperazinyl ketone, CTK4A7485, DTXSID80375167, KS-00000B5I, ZINC2528775, (piperazin-1-yl)(p-tolyl)methanone, 2098AA, BBL018144, MFCD04116566, STL183440, AKOS000130008, FS-1808, MCULE-5237316176, TRA-0198044, (4-methylphenyl)-piperazin-1-ylmethanone, AJ-38335, AN-11970, SY004178, (4-methylphenyl)-(1-piperazinyl)methanone, AB0063175, DB-017475, RT-023755, FT-0716971, ST50213176, EN300-39988, MFCD04116566 (97%), K-0931, A802406, I14-17342, C12H16N2O, CID2760450, 1-(4-methylbenzoyl)piperazine hydrochloride, piperazin-1-yl-p-tolyl-methanone hydrochloride, 1-(4-Methyl-benzoyl)-piperazine, 98% - 10G 10g, 111969-64-3,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.126g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.273g/mol
Monoisotopic Mass	204.126g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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