AG000TP2

129799-14-0 | 1,2,4-Piperazinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl 4-(phenylmethyl) ester

AG000TP2

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CAS Number	129799-14-0
Catalog Number	AG000TP2(AGN-PC-03S6AT)
Chemical Name	1,2,4-Piperazinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl 4-(phenylmethyl) ester
IUPAC Name	4-O-benzyl 1-O-tert-butyl 2-O-methyl piperazine-1,2,4-tricarboxylate
InChI	InChI=1S/C19H26N2O6/c1-19(2,3)27-18(24)21-11-10-20(12-15(21)16(22)25-4)17(23)26-13-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3
InChI Key	JHEYLNAAOWKKBQ-UHFFFAOYSA-N
MDL Number	MFCD09038774
Molecular Formula	C19H26N2O6
Molecular Weight	378.4195
SMILES	O=C(N1C(C(OC)=O)CN(C(OCC2=CC=CC=C2)=O)CC1)OC(C)(C)C
Synonyms	129799-14-0, 4-benzyl 1-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate, N-1-BOC-4-CBZ-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER, JHEYLNAAOWKKBQ-UHFFFAOYSA-N, Methyl (R)-1-Boc-4-Cbz-piperazine-2-carboxylate, SCHEMBL2820733, DTXSID00626244, MFCD09038774, AKOS015923288, FCH2822101, AK-42132, SY039731, AB0000774, AX8209476, DB-062712, ST2405561, 4CH-019315, 4CH-019554, 4CH-019555, CS-0060956, FT-0083978, FT-0660120, MFCD14636158 (95%), S-0025, 1-tert-Butyl 4-benzyl 2-methyl piperazine- 1,2,4-tricarboxylate, 4-Benzyl 2-methyl 1-(2-methyl-2-propanyl) 1,2,4-piperazinetricarboxylate, 4-O-benzyl 1-O-tert-butyl 2-O-methyl piperazine-1,2,4-tricarboxylate, methyl 4-benzyloxycarbonyl-1-(tert-butoxycarbonyl)piperazine-2carboxylate, 1,2,4-Piperazinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl 4-(phenylmethyl) ester, 4-O-benzyl 1-O-tert-butyl 2-O-methyl (2R)-piperazine-1,2,4-tricarboxylate, piperazine-1,2,4-tricarboxylic acid 4-benzyl ester 1-tert-butyl ester 2-methyl ester, (R)-4-Benzyl 1-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate, (S)-4-Benzyl 1-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate, 278790-00-4, 313706-16-0,

Complexity	539
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	378.179g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	378.425g/mol
Monoisotopic Mass	378.179g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	85.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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