AG00BZ3D

347186-49-6 | 2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-phenylacetic acid

AG00BZ3D

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CAS Number	347186-49-6
Catalog Number	AG00BZ3D(AGN-PC-0KKOQR)
Chemical Name	2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-phenylacetic acid
IUPAC Name	2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-phenylacetic acid
InChI	InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-11-9-18(10-12-19)14(15(20)21)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,21)
InChI Key	QPEHPIVVAWESTM-UHFFFAOYSA-N
MDL Number	MFCD01862496
Molecular Formula	C17H24N2O4
Molecular Weight	320.3835
SMILES	O=C(O)C(N1CCN(C(OC(C)(C)C)=O)CC1)C2=CC=CC=C2
Synonyms	347186-49-6, 2-(4-BOC-PIPERAZINYL)-2-PHENYLACETIC ACID, 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-2-phenylacetic acid, 2-{4-[(tert-Butyl)oxycarbonyl]piperazinyl}-2-phenylacetic acid, rac-2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-2-phenylacetic acid, 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-phenylacetic acid, 4-(Carboxy-phenyl-methyl)-piperazine-1-carboxylic acid tert-butyl ester, AC1MC6IK, AC1Q1N5X, SCHEMBL1852622, CTK7G3320, DTXSID40376094, QPEHPIVVAWESTM-UHFFFAOYSA-N, PAD-0-01, ZX-AT009642, AR3764, MFCD01862496, AKOS015949656, OR12719, RTC-069894, 1-Boc-4-(carboxyphenylmethyl)piperazine, ACM347186496, AK122441, AS-11505, CC-05715, AB0010218, AX8020355, TC-069894, 1-Boc-4-(carboxy-phenyl-methyl)-piperazine, FT-0703390, 186B496, 2-(4-Boc-piperazinyl)-2-phenylacetic acid, 97%, A822366, C-35272, J-019729, 2-Piperazin-1-yl-2-phenylacetic acid, N4-BOC protected, [4-(tert-butoxycarbonyl)piperazin-1-yl](phenyl)acetic acid, 2-(4-Boc-piperazino)-2-phenylacetic acid, purum, >=97.0% (HPLC), 2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}-2-phenylacetic acid, 2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-2-phenylacetic acid, 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-phenyl-ethanoic acid, C17H24N2O4, ACN-046759, CID2762217, M-1200, 2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-phenylaceticacid, 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-phenyl-acetic Acid, 4-(Carboxy-phenyl-methyl)-piperazine-1-carboxylic acid tert-butyl ester 1HCl salt,

Complexity	419
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	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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