AG003K4D

106261-48-7 | 4-((4-Methylpiperazin-1-yl)methyl)benzoic acid

AG003K4D

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CAS Number	106261-48-7
Catalog Number	AG003K4D(AGN-PC-0LH0J9)
Chemical Name	4-((4-Methylpiperazin-1-yl)methyl)benzoic acid
IUPAC Name	4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
InChI	InChI=1S/C13H18N2O2/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17/h2-5H,6-10H2,1H3,(H,16,17)
InChI Key	ZJUXJQSYXBYFFO-UHFFFAOYSA-N
MDL Number	MFCD01632530
Molecular Formula	C13H18N2O2
Molecular Weight	234.2942
SMILES	CN1CCN(CC1)CC2=CC=C(C(=O)O)C=C2
Synonyms	106261-48-7, 4-(4-Methylpiperazin-1-ylmethyl)benzoic Acid, 4-((4-METHYLPIPERAZIN-1-YL)METHYL)BENZOIC ACID, 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid, 4-(4-Methyl-1-piperazinylmethyl)benzoic Acid, 4-(4-methylpiperazinomethyl)benzoic acid, Benzoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-, MFCD01632530, Benzoic acid,4-[(4-methyl-1-piperazinyl)methyl]-, ACMC-1BSQT, AC1NHR7G, SCHEMBL65179, CTK4A4455, DTXSID30406374, ZJUXJQSYXBYFFO-UHFFFAOYSA-N, ACN-S002933, ALBB-029682, CS-D0423, ANW-51340, SBB063308, STK256888, ZINC19850671, AKOS000104860, AC-7235, AN-1865, AN-9526, MCULE-6449707200, RP28123, SB14846, TRA-0206673, AJ-75380, AK-22217, BR-22217, DS-10440, EN002553, SC-20890, SY005284, 4-(4-methylpiperazinyl)methyl benzoic acid, 4-[(4-Methylpiperazino)methyl]benzoic acid, AB0034621, AB1000414, DB-012767, ST2410945, TR-001239, 4-[(4-methylpiperazinyl)methyl]benzoic acid, BB 0259219, FT-0083544, FT-0651484, X8800, 4-(4-methylpiperazin-1-yl)methylbenzoic acid, 4-(4-methylpiperazin-1-ylmethyl)-benzoic acid, S-4065, 4-(4-methyl-piperazin-1-ylmethyl)-benzoic acid, 4-(4-methyl-piperazine-1-ylmethyl)-benzoic acid, 4-[(4-methyl-1-piperazinyl)methyl]benzoic acid, MFCD01632530 (97+%), 261M498, I01-1230, J-513168, 4-(N-Methylpiperazinyl)methyl benzoic acid, AldrichCPR, null, Not Available, Imatinib Related Compound, 2,4-Dichloro-5-nitropyrimidine, C13H18N2O2, CID4769782, 106261-49-8, 4-[(4-methylpiperazin-1-yl)methyl]benzoic Acid Dihydrochloride, 106261-64-7,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.137g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.299g/mol
Monoisotopic Mass	234.137g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

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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