AG00I8QL

479353-63-4 | 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid

AG00I8QL

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CAS Number	479353-63-4
Catalog Number	AG00I8QL(AGN-PC-0KL7L4)
Chemical Name	4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
IUPAC Name	4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
InChI	InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-10-8-18(9-11-19)12-13-4-6-14(7-5-13)15(20)21/h4-7H,8-12H2,1-3H3,(H,20,21)
InChI Key	JGOFKAHLQQITIG-UHFFFAOYSA-N
MDL Number	MFCD04974012
Molecular Formula	C17H24N2O4
Molecular Weight	320.3835
SMILES	C(=O)(OC(C)(C)C)N1CCN(CC1)CC2=CC=C(C=C2)C(=O)O
Synonyms	479353-63-4, 1-Boc-4-(4-Carboxybenzyl)piperazine, 4-((4-(tert-butoxycarbonyl)piperazin-1-yl)methyl)benzoic acid, 4-{[4-(tert-butoxycarbonyl)piperazino]methyl}benzoic acid, 1-(4-carboxyphenylmethyl)-4-Boc piperazine, 4-(4-N-Boc-Piperazin-1-yl)methylbenzoic acid, 4-(4-Carboxybenzyl)piperazine-1-carboxylic acid tert-butyl ester, AK-21961, 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic Acid, 4-({4-[(tert-butoxy)carbonyl]piperazin-1-yl}methyl)benzoic acid, 4-{[4-(tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid, AC1MDTJU, PubChem12225, 4-(4-N-Boc-Piperazin-1-yl)methylbenzoicacid, SCHEMBL2514655, CTK4J0485, KS-00000NRE, DTXSID70383736, BCP06583, ZINC2541486, ZX-AT017543, AB3251, ANW-52200, MFCD04974012, OR0480, RW3806, SBB067523, AKOS015841577, AB21436, AM87801, GS-4479, QC-3280, RP06947, RTC-065267, 4-[(4-Carboxyphenyl)methyl]-1-piperazine caroxylic acid, 1-(1,1-dimethylethyl) ester, AC-14203, ACM479353634, AJ-75364, BR-21961, AB0000059, AX8090461, DB-026127, ST2408671, 4CH-015675, FT-0604279, W6463, S-3653, 4-(4-Carboxybenzyl)piperazine, N1-BOC protected, I14-3866, J-514266, tert-Butyl 4-(4-carboxybenzyl)piperazine-1-carboxylate, 4-({4-[(tert-butyl)oxycarbonyl]piperazinyl}methyl)benzoic acid, 4-(4-CARBOXYBENZYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYLESTER, 4-{[4-(tert-Butoxycarbonyl)-1-piperazinyl]methyl}benzoic acid, AldrichCPR, 1-Piperazinecarboxylicacid, 4-[(4-carboxyphenyl)methyl]-, 1-(1,1-dimethylethyl) ester, 1-Piperazinecarboxylicacid,4-[(4-carboxyphenyl)methyl]-,1-(1,1-dimethylethyl)ester, C17H24N2O4, CID2795516, A7318, 4-(4-CARBOXYBENZYL)PIPERAZINE-1-CARBOXYLICACIDTERT-BUTYLESTER,

Complexity	417
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	320.174g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	320.389g/mol
Monoisotopic Mass	320.174g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	70.1A^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	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number