AG0030C3

304897-49-2 | 1-Piperazinecarboxylic acid, 4-[(4-aminophenyl)methyl]-, 1,1-dimethylethyl ester

AG0030C3

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CAS Number	304897-49-2
Catalog Number	AG0030C3(AGN-PC-0NHLYS)
Chemical Name	1-Piperazinecarboxylic acid, 4-[(4-aminophenyl)methyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate
InChI	InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-8-18(9-11-19)12-13-4-6-14(17)7-5-13/h4-7H,8-12,17H2,1-3H3
InChI Key	ZTYRRWNDQSVOCL-UHFFFAOYSA-N
MDL Number	MFCD06797795
Molecular Formula	C16H25N3O2
Molecular Weight	291.3886
SMILES	C(C)(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)N
Synonyms	304897-49-2, 4-(4-Aminobenzyl)piperazine-1-carboxylic acid tert-butyl ester, tert-butyl 4-(4-aminobenzyl)piperazine-1-carboxylate, 4-(4-Boc-piperazin-1-yl-methyl)aniline, tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate, 4-(1-Boc-piperazin-4-yl-methyl)aniline, AK-21744, 4-(4-amino-benzyl)-piperazine-1-carboxylic acid tert-butyl ester, PubChem12212, ACMC-209hge, JSPY-st000055, JSPY-st000108, JSPY-st000210, SCHEMBL265853, CTK1C2103, DTXSID70476410, ZTYRRWNDQSVOCL-UHFFFAOYSA-N, ALBB-031121, EBD41866, KS-00000K2U, ZX-AT017904, ANW-26892, MFCD06797795, ZINC19726917, AKOS015841588, AB29730, COR0002603, CS-W019936, GS-4354, RTC-062050, AC-30501, AJ-74480, AN-28955, BBV-45001233, BR-21744, CC-16469, CJ-16292, OR305321, AB0024094, AX8028322, ST2413902, TC-062050, 4CH-012930, A5598, FT-0604268, W5292, S-4652, 4-(1-BOC-PIPERAZIN-4-YL-METHYL)-ANILINE, 4-(4-tert.butoxycarbonyl-piperazinomethyl)-aniline, 897A492, C-18294, 4-(4-tert.butoxycarbonyl-piperazin-1-yl-methyl)-aniline, 4-(4-Amino-benzyl)-piperazin-1-yl carboxylic acid tert-butyl ester, 1-PIPERAZINECARBOXYLIC ACID, 4-[(4-AMINOPHENYL)METHYL]-, 1,1-DIMETHYLETHYL ESTER, C16H25N3O2, 5-bromo-3-ethyl-1,3-dihydroindol-2-one, ACN-030092,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.195g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	291.395g/mol
Monoisotopic Mass	291.195g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	58.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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