AG002408

182618-86-6 | 1-Piperazinecarboxylic acid, 4-(4-nitrophenyl)-, 1,1-dimethylethyl ester

AG002408

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CAS Number	182618-86-6
Catalog Number	AG002408(AGN-PC-0KTF1K)
Chemical Name	1-Piperazinecarboxylic acid, 4-(4-nitrophenyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-(4-nitrophenyl)piperazine-1-carboxylate
InChI	InChI=1S/C15H21N3O4/c1-15(2,3)22-14(19)17-10-8-16(9-11-17)12-4-6-13(7-5-12)18(20)21/h4-7H,8-11H2,1-3H3
InChI Key	MGYCIJUTYLUYJM-UHFFFAOYSA-N
MDL Number	MFCD02187326
Molecular Formula	C15H21N3O4
Molecular Weight	307.3449
SMILES	C2=C(N1CCN(CC1)C(OC(C)(C)C)=O)C=CC(=C2)[N+]([O-])=O
Synonyms	1-Boc-4-(4-Nitrophenyl)piperazine, 182618-86-6, tert-butyl 4-(4-nitrophenyl)piperazine-1-carboxylate, 4-(4-Nitrophenyl)piperazine-1-carboxylic acid tert-butyl ester, MFCD02187326, 1-Piperazinecarboxylic acid, 4-(4-nitrophenyl)-, 1,1-dimethylethyl ester, tert-butyl 4-(4-nitrophenyl)piperazinecarboxylate, ACMC-1C6WN, AC1MP7B1, Oprea1_054508, MLS000706997, SCHEMBL594206, CHEMBL1570594, CTK4D8242, KS-00000DNK, DTXSID70391957, MGYCIJUTYLUYJM-UHFFFAOYSA-N, HMS2695I20, ZINC4052819, AB3493, ANW-23123, SBB066888, 1-N-Boc-4-(4-nitrophenyl)piperazine, AKOS002254586, CB-3333, DS-0174, MCULE-4078708504, RTC-060821, TRA0011306, AC-30021, AJ-47833, AK-21732, BR-21732, CJ-11289, SMR000335817, SY031407, 1-(4-Boc-piperazin-1-yl)-4-nitrobenzene, AB0022987, ST2408673, TC-060821, 4CH-000785, FT-0659711, ST50210548, W3965, 1-t-butoxycarbonyl4-(4-nitrophenyl)piperazine, MFCD02187326 (95%), 1-t-butoxycarbonyl-4-(4-nitrophenyl)piperazine, B-3658, 5R-1552, A812712, tert-butyl 4-(4-nitrophenyl)-1-piperazinecarboxylate, 4-(N-tert-butyloxycarbonyl-N'-piperazinyl)-1-nitrobenzene, 4-(N-tert-Butyloxycarbonyl-N'piperazinyl)-1-nitrobenzene, 2-Methyl-2-propanyl 4-(4-nitrophenyl)-1-piperazinecarboxylate, 4-(4-nitrophenyl)-1-piperazinecarboxylic acid tert-butyl ester, 4-(4-Nitro-phenyl)-piperazin-1-yl carboxylic acid tert-butyl ester, 4-(4-Nitro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester, 4-(4-Nitrophenyl)-piperazine-1-carboxylic acid tert-butyl ester, 4-(4-NITROPHENYL)PIPERAZINE-1-CARBOXYLICACIDTERT-BUTYLESTER, tert-butyl 4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarboxylate, 1-Piperazinecarboxylicacid, 4-(4-nitrophenyl)-, 1,1-dimethylethyl ester, 1-Piperazinecarboxylicacid,4-(4-nitrophenyl)-,1,1-dimethylethyl ester, 4-(4-nitrophenyl)-1-piperazinecarboxylic acid, 1,1-dimethylethyl ester, 4-(4-Nitrophenyl)-1-Piperazinecarboxylicacid 1,1-Dimethylethyl Ester, C15H21N3O4, ZINC04052819, CID3380696, 4-(4-Nitrophenyl)piperazine-1-carboxylic acid tert-butyl. ester,

Complexity	400
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	307.153g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	307.35g/mol
Monoisotopic Mass	307.153g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	78.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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