AG000TP3

129799-11-7 | 1,3-Piperazinedicarboxylic acid, 3-methyl 1-(phenylmethyl) ester

AG000TP3

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CAS Number	129799-11-7
Catalog Number	AG000TP3(AGN-PC-0KKLQ9)
Chemical Name	1,3-Piperazinedicarboxylic acid, 3-methyl 1-(phenylmethyl) ester
IUPAC Name	1-O-benzyl 3-O-methyl piperazine-1,3-dicarboxylate
InChI	InChI=1S/C14H18N2O4/c1-19-13(17)12-9-16(8-7-15-12)14(18)20-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3
InChI Key	FYKXWBBQYZXPFB-UHFFFAOYSA-N
MDL Number	MFCD03001724
Molecular Formula	C14H18N2O4
Molecular Weight	278.3037
SMILES	O=C(N1CC(C(OC)=O)NCC1)OCC2=CC=CC=C2
Synonyms	129799-11-7, 1-benzyl 3-methyl piperazine-1,3-dicarboxylate, N-4-Cbz-piperazine-2-carboxylate methyl ester, methyl 4-cbz-piperazine-2-carboxylate, 4-Cbz-piperazine-2-carboxylate methyl ester, Methyl-4-CBZ piperazine-2-carboxylate, piperazine-1,3-dicarboxylic acid 1-benzyl ester 3-methyl ester, methyl 4-(benzyloxycarbonyl)piperazine-2-carboxylate, AK-32199, 1,3-Piperazinedicarboxylic acid, 3-methyl 1-(phenylmethyl) ester, 4-n-cbz-piperazine-2-carboxylic acid methyl ester, 1,3-Piperazinedicarboxylicacid, 3-methyl 1-(phenylmethyl) ester, AK-45146, AC1MBVQQ, ACMC-1AQBS, SCHEMBL2680992, CTK4B6409, DTXSID90373871, FYKXWBBQYZXPFB-UHFFFAOYSA-N, KS-00000AK4, ANW-42586, Methyl4-Cbz-piperazine-2-carboxylate, MFCD03001724, AKOS005258750, CS-W002984, DS-0781, FCH2718686, methyln-4-cbz-piperazine-2-carboxylate, RTR-004091, TRA0095383, VP70261, methyl n-4-cbz-piperazine-2-carboxylate, AC-14343, AN-32390, BC677297, BR-32199, SC-14099, SY017973, 1-benzyloxycarbonyl-3-carbomethoxypiperazine, AB0035421, AX8005298, ST2415152, TR-004091, 4CH-000735, 4CH-014384, 4CH-021569, AM20020377, FT-0083941, FT-0600861, X9755, MFCD03001724 (95%), n-4-cbz-piperazine-2-carboxyiate methyl ester, A12960, S-3193, 799C117, methyl 4-benzyloxycarbonylpiperazine-2-carboxylate, N-4-Cbz-piperazine-2-carboxylic acid methyl ester, O1-benzyl O3-methyl piperazine-1,3-dicarboxylate, (S)-4-N-Cbz-piperazine-2-carboxylicacidmethylester, 1-O-benzyl 3-O-methyl piperazine-1,3-dicarboxylate, I13-0262, n-4-cbz-piperazine-2-carboxylate methyl ester, AldrichCPR, cc-692, Methyl (S)-4-N-Cbz-piperazine-2-carboxylate, C14H18N2O4, ACN-030937, CID2757384, (r)-1-benzyl 3-methyl piperazine-1,3-dicarboxylate, Benzyl Methyl Piperazine-1,3-dicarboxylate, 225517-81-7, (s)-1-benzyl 3-methyl piperazine-1,3-dicarboxylate, 405175-79-3, 1-O-benzyl 3-O-methyl (3S)-piperazine-1,3-dicarboxylate, 4-N-CBZ-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-HCl,

Complexity	342
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.127g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	278.308g/mol
Monoisotopic Mass	278.127g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	67.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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