AG00D898

548762-66-9 | (2S,5R)-2,5-DIMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

AG00D898

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CAS Number	548762-66-9
Catalog Number	AG00D898(AGN-PC-0SI73V)
Chemical Name	(2S,5R)-2,5-DIMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
IUPAC Name	tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
InChI	InChI=1S/C11H22N2O2/c1-8-7-13(9(2)6-12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9+/m1/s1
InChI Key	PGZCVLUQTJRRAA-BDAKNGLRSA-N
MDL Number	MFCD08686667
Molecular Formula	C11H22N2O2
Molecular Weight	214.3046
SMILES	C[C@@H]1N(C[C@H](NC1)C)C(=O)OC(C)(C)C
Synonyms	548762-66-9, (2S,5R)-1-Boc-2,5-dimethylpiperazine, (2S,5R)-tert-butyl 2,5-dimethylpiperazine-1-carboxylate, (2S,5R)-2,5-DIMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, Tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate, AK161718, N-BOC-trans-2,5-dimethylpiperazine, SCHEMBL104260, CTK3J7100, DTXSID60471732, PS-S-14, PGZCVLUQTJRRAA-BDAKNGLRSA-N, ACT09840, Trans-1-Boc-2,5-dimethylpiperazine, MFCD08686667, ZINC21986745, AKOS015840349, AB47963, CB-1483, DS-7373, FCH2719295, RTC-065405, KS-0000082D, AJ-79472, OR451093, SC-49250, (2S,5R)-1-Boc-2,5-dimethyl-piperazine, AB0006808, AX8242698, DB-002929, TC-065405, CS-0042118, FT-0084008, FT-0652062, ST24034191, A-1698, A26376, M-2035, (2S,5R)-1-N-BOC-2,5-DIMETHYLPIPERAZINE, I13-0204, trans-1-tert-butoxycarbonyl-2,5-dimethyl piperazine, I14-33412, tert-Butyl trans-2,5-dimethylpiperazine-1-carboxylate, trans-1-(tert-butoxycarbonyl)-2,5-dimethylpiperazine, (2S,5R)-1-N-Boc-2,5-dimethylpiperazine, AldrichCPR, (2S,5R)-2,5-DIMETHYL-PIPERAZINE-1-CARBOXYLIC ACID, (2S,5R)-tert-butyl 2,5-dim ethylpiperazine-1-carboxylate, (2S,5R)-2,5-Dimethyl-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester, (2S,5R)-2,5-dimethyl-piperazine-1-carboxylic acid tert-butyl esterr, trans-N-Boc-2,5-Dimethylpiperazine, ACN-001792, CID11745988, (2S,5R)-2,5-DIMETHYL-PIPERAZINE-1-CARBOXYLICACID TERT-BUTYLESTER, 194032-41-2, 1-PIPERAZINECARBOXYLIC ACID, 2,5-DIMETHYL-, 1,1-DIMETHYLETHYL ESTER, (2S,5R)-,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	214.168g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.309g/mol
Monoisotopic Mass	214.168g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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