AG003RTQ

314268-40-1 | METHYL 4-(4-METHYLPIPERAZINOMETHYL)BENZOATE

AG003RTQ

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CAS Number	314268-40-1
Catalog Number	AG003RTQ(AGN-PC-0O8U4T)
Chemical Name	METHYL 4-(4-METHYLPIPERAZINOMETHYL)BENZOATE
IUPAC Name	methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate
InChI	InChI=1S/C14H20N2O2/c1-15-7-9-16(10-8-15)11-12-3-5-13(6-4-12)14(17)18-2/h3-6H,7-11H2,1-2H3
InChI Key	MEYCYFIWDAQKQK-UHFFFAOYSA-N
MDL Number	MFCD01467150
Molecular Formula	C14H20N2O2
Molecular Weight	248.3208
SMILES	O=C(OC)C1=CC=C(CN2CCN(C)CC2)C=C1
Synonyms	314268-40-1, Methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate, methyl 4-((4-methylpiperazin-1-yl)methyl)benzoate, Methyl 4-(4-Methylpiperazinomethyl)benzoate, Benzoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-, methyl ester, AC1LFQCA, PubChem18862, Oprea1_243339, SCHEMBL64588, BEN123, CTK4G7120, DTXSID00354797, MEYCYFIWDAQKQK-UHFFFAOYSA-N, 7059AJ, MFCD01467150, SBB100451, ZINC20230861, AKOS005872810, AM86855, MCULE-8273881256, RL03109, SB17884, TRA0046798, AC-23881, AJ-76498, CS-11169, SC-50889, SY008016, DB-013146, TC-308507, CS-0038767, FT-0740681, MFCD01467150 (95%), 1-methyl-4-(4-methoxycarbonylbenzyl)piperazine, K-7430, methyl 4-[(4-methylpiperazinyl)methyl]benzoate, methyl4-((4-methylpiperazin-1-yl)methyl)benzoate, SR-01000208362, J-522216, methyl 4-[(4-methyl-1-piperazinyl)methyl]benzoate, SR-01000208362-1, I14-59584, 4-[(4-Methylpiperazino)methyl]benzoic acid methyl ester, 4-(4-methyl-piperazin-1-ylmethyl)benzoic acid methyl ester, 4-(4-methylpiperazin-1-ylmethyl)benzoic acid methyl ester, 4-(4-methyl-piperazin-1-ylmethyl)-benzoic acid methyl ester, Benzoic acid,4-[(4-methyl-1-piperazinyl)methyl]-, methyl ester, 54V, C14H20N2O2, CID782222, 16096-32-5,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.152g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	248.326g/mol
Monoisotopic Mass	248.152g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	32.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3259

Certificate of Analysis

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