AG00DCJY

55121-99-8 | 1-(4-Aminobenzoyl)-4-methylpiperazine

AG00DCJY

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CAS Number	55121-99-8
Catalog Number	AG00DCJY(AGN-PC-0JO9FF)
Chemical Name	1-(4-Aminobenzoyl)-4-methylpiperazine
IUPAC Name	(4-aminophenyl)-(4-methylpiperazin-1-yl)methanone
InChI	InChI=1S/C12H17N3O/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(13)5-3-10/h2-5H,6-9,13H2,1H3
InChI Key	WTBSUAXLZLAHPE-UHFFFAOYSA-N
MDL Number	MFCD00973892
Molecular Formula	C12H17N3O
Molecular Weight	219.2829
NSC Number	27588
SMILES	O=C(C1=CC=C(N)C=C1)N2CCN(C)CC2
Synonyms	(4-aminophenyl)(4-methylpiperazin-1-yl)methanone, 55121-99-8, 1-(4-Aminobenzoyl)-4-methylpiperazine, 4-[(4-Methyl-1-piperazinyl)carbonyl]aniline, (4-aminophenyl)(4-methyl-1-piperazinyl)Methanone, (4-aminophenyl)-(4-methylpiperazin-1-yl)methanone, 4-(4-methylpiperazine-1-carbonyl)aniline, Methanone, (4-aminophenyl)(4-methyl-1-piperazinyl)-, NSC27588, AC1L5LMS, AC1Q3ZSM, ChemDiv3_011308, AC1Q5K7N, SCHEMBL110102, CTK5A3075, DTXSID20282720, WTBSUAXLZLAHPE-UHFFFAOYSA-N, HMS1505B22, HMS3447K18, ZINC792378, ANW-73848, BBL009855, MFCD00973892, NSC-27588, STK915722, AKOS000111615, 4-methyl-1-(4-aminobenzoyl)piperazine, AS-9433, MCULE-8724436438, RP27197, WT82083, IDI1_028866, AJ-23887, AK-39598, AN-40438, BAS 05262639, BP-11850, BR-39598, 4-(1-methyl-4-piperazinyl-carbonyl)aniline, DB-071948, TC-162593, (4-aminophenyl)(4-methylpiperazino)methanone, BB 0246493, FT-0716096, ST24020528, W6916, 4-[(4-methylpiperazin-1-yl)carbonyl]aniline, EN300-52143, S-4914, 121A998, {4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amine, J-503228, BRD-K83038207-001-01-4, (4-Amino-phenyl)-(4-methyl-piperazin-1-yl)-m ethanone, (4-Amino-phenyl)-(4-methyl-piperazin-1-yl)-methanone, (4-Amino-phenyl)-(4-methyl-piperazine-1-yl)-methanone, C12H17N3O, KST-1A6898, AR-1A5427, CID231408, 6337-06-0,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.137g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.288g/mol
Monoisotopic Mass	219.137g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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