AG00EDPD

639068-43-2 | 3,5-Dimethyl-piperazine-1-carboxylic acid tert-butyl ester

AG00EDPD

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CAS Number	639068-43-2
Catalog Number	AG00EDPD(AGN-PC-03MBLN)
Chemical Name	3,5-Dimethyl-piperazine-1-carboxylic acid tert-butyl ester
IUPAC Name	tert-butyl 3,5-dimethylpiperazine-1-carboxylate
InChI	InChI=1S/C11H22N2O2/c1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3
InChI Key	NUZXPHIQZUYMOR-UHFFFAOYSA-N
MDL Number	MFCD07371499
Molecular Formula	C11H22N2O2
Molecular Weight	214.3046
SMILES	C(=O)(OC(C)(C)C)N1CC(NC(C1)C)C
Synonyms	tert-butyl 3,5-dimethylpiperazine-1-carboxylate, 639068-43-2, 1-Boc-3,5-dimethylpiperazine, 129779-30-2, 1-BOC-3,5-DIMETHYL-PIPERAZINE, 3,5-Dimethyl-piperazine-1-carboxylic acid tert-butyl ester, 1-Piperazinecarboxylicacid, 3,5-dimethyl-, 1,1-dimethylethyl ester, (3R,5S)-rel-, cis-3,5-Dimethyl-piperazine-1-carboxylic acid tert-butyl ester, AK102255, AK141525, AC1Q2RB9, ACMC-1C23U, SCHEMBL64564, CTK4B6402, NUZXPHIQZUYMOR-UHFFFAOYSA-N, KS-00000JZ2, ANW-72933, MFCD07371499, AKOS005256659, ACN-048904, CB-2225, CS-W006797, MCULE-5786400201, PB22032, RP26828, RTR-004090, 1-N-BOC-3,5-DIMETHYLPIPERAZINE, AK-25110, AS-11230, BR-25110, SC-35055, SY039039, AB0009503, DB-062710, DB-073408, TR-004090, 1-Boc-3,5-dimethyl-piperazine, AldrichCPR, 4CH-012756, 4CH-025091, BB 0256514, FT-0706666, Z4986, EN300-74192, MFCD06795911 (95%), M-9340, tert-butyl 3,5-dimethylpiperazin-1-carboxylate, A805975, J-504352, Z1262270048, 3,5-dimethyl-1-piperazinecarboxylic acid tert-butyl ester, 3,5-Dimethylpiperazine-1-carboxylic acid tert-butyl ester, tert-butyl (3RS,5SR)-3,5-dimethylpiperazine-1-carboxylate, C11H22N2O2, cis-1-boc-3,5-dimethylpiperazine, (3R,5S)-rel-tert-Butyl 3,5-dimethylpiperazine-1-carboxylate, (3R,5R)-tert-Butyl 3,5-dimethylpiperazine-1-carboxylate, 1-BOC-CIS-3,5-DIMETHYL-PIPERAZINE, (3S,5S)-tert-Butyl 3,5-dimethylpiperazine-1-carboxylate, 438049-91-3, 888327-50-2,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	2
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

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