AG001RKB

159974-63-7 | Benzoic acid, 2-(1-piperazinyl)-, methyl ester

AG001RKB

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CAS Number	159974-63-7
Catalog Number	AG001RKB(AGN-PC-0ND278)
Chemical Name	Benzoic acid, 2-(1-piperazinyl)-, methyl ester
IUPAC Name	methyl 2-piperazin-1-ylbenzoate
InChI	InChI=1S/C12H16N2O2/c1-16-12(15)10-4-2-3-5-11(10)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
InChI Key	XGNPSKXFPSPTDE-UHFFFAOYSA-N
MDL Number	MFCD06656931
Molecular Formula	C12H16N2O2
Molecular Weight	220.2676
SMILES	O=C(OC)C1=CC=CC=C1N2CCNCC2
Synonyms	METHYL 2-(PIPERAZIN-1-YL)BENZOATE, 159974-63-7, 2-Piperazin-1-yl-benzoic acid methyl ester, Benzoic acid, 2-(1-piperazinyl)-, methyl ester, AK-63804, Benzoic acid,2-(1-piperazinyl)-, methyl ester, Methyl 2-piperazin-1-ylbenzoate, 2-Piperazin-1-yl-benzoicacidmethylester, PubChem12232, Methyl 2-piperazinylbenzoate, SCHEMBL112024, CTK4D0282, DTXSID90448851, XGNPSKXFPSPTDE-UHFFFAOYSA-N, 1-(2-carbomethoxyphenyl)-piperazine, ANW-57997, MFCD06656931, ZINC22015286, AKOS015915405, FS-3643, MP-0672, VZ23060, KS-00000N81, AJ-80612, SC-45591, AB0047873, AX8078290, DB-064318, ST2419493, TC-065086, 2-(1-piperazinyl)-benzoic acid methyl ester, 4CH-015311, FT-0604283, Z4235, P15931, P57091, I14-5576, C12H16N2O2, CID10932975, A3535,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.121g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	220.272g/mol
Monoisotopic Mass	220.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	41.6A^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+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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