AG000UQL

130636-61-2 | 1-Piperazinecarboxylic acid, 4-[(4-nitrophenyl)methyl]-, 1,1-dimethylethyl ester

AG000UQL

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CAS Number	130636-61-2
Catalog Number	AG000UQL(AGN-PC-044C4N)
Chemical Name	1-Piperazinecarboxylic acid, 4-[(4-nitrophenyl)methyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-[(4-nitrophenyl)methyl]piperazine-1-carboxylate
InChI	InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)18-10-8-17(9-11-18)12-13-4-6-14(7-5-13)19(21)22/h4-7H,8-12H2,1-3H3
InChI Key	XWWBHMXIEAVTGS-UHFFFAOYSA-N
MDL Number	MFCD03407491
Molecular Formula	C16H23N3O4
Molecular Weight	321.3715
SMILES	C(=O)(OC(C)(C)C)N1CCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-]
Synonyms	1-Boc-4-(4-Nitrobenzyl)piperazine, 130636-61-2, 4-(4-Nitrobenzyl)piperazine-1-carboxylic acid tert-butyl ester, TERT-BUTYL 4-(4-NITROBENZYL)PIPERAZINE-1-CARBOXYLATE, tert-butyl 4-[(4-nitrophenyl)methyl]piperazine-1-carboxylate, ACMC-1C6AB, SCHEMBL377491, CTK4B6847, DTXSID30634599, XWWBHMXIEAVTGS-UHFFFAOYSA-N, ALBB-031115, KS-00000I6O, AB3486, ANW-19216, MFCD03407491, SBB066890, ZINC21984967, AKOS015837058, DS-0178, RTR-004187, AC-30503, AJ-79275, BR-21738, AB0035436, DB-001688, ST2408672, TR-004187, 4CH-004441, FT-0643136, X9773, B-7075, A806117, 1-(4-Nitrobenzyl)-4-(tert-butyloxycarbonyl)piperazine, tert-Butyl 4-(4-nitrobenzyl)-1-piperazinecarboxylate, 4-(4-tert.butoxycarbonyl-piperazinomethyl)-nitrobenzene, tert-butyl 4-[(4-nitrophenyl)methyl]piperazinecarboxylate, 1,1-Dimethylethyl 4-[(4-nitrophenyl)methyl]-1-piperazinecarboxylate, 4-(4-Nitro-benzyl)-piperazin-1-yl carboxylic acid tert-butyl ester, 4-(4-Nitro-benzyl)-piperazine-1-carboxylic acid tert-butyl ester, 4-[(4-nitrophenyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester, 1-Piperazinecarboxylic acid, 4-[(4-nitrophenyl)methyl]-, 1,1-dimethylethyl ester, 1-Piperazinecarboxylicacid, 4-[(4-nitrophenyl)methyl]-, 1,1-dimethylethyl ester, C16H23N3O4, ACN-032338,

Complexity	414
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	321.169g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	321.377g/mol
Monoisotopic Mass	321.169g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	78.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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