AG00ABP3

154590-35-9 | 4-(4-Boc-piperazin-1-yl)-3-fluoroaniline

AG00ABP3

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CAS Number	154590-35-9
Catalog Number	AG00ABP3(AGN-PC-00UH9E)
Chemical Name	4-(4-Boc-piperazin-1-yl)-3-fluoroaniline
IUPAC Name	tert-butyl 4-(4-amino-2-fluorophenyl)piperazine-1-carboxylate
InChI	InChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-5-4-11(17)10-12(13)16/h4-5,10H,6-9,17H2,1-3H3
InChI Key	IULXQAJBODFBAK-UHFFFAOYSA-N
MDL Number	MFCD08443960
Molecular Formula	C15H22FN3O2
Molecular Weight	295.3525
SMILES	O=C(N1CCN(C2=CC=C(N)C=C2F)CC1)OC(C)(C)C
Synonyms	154590-35-9, 4-(4-Boc-piperazin-1-yl)-3-fluoroaniline, Tert-butyl 4-(4-amino-2-fluorophenyl)piperazine-1-carboxylate, TERT-BUTYL 4-(4-AMINO-2-FLUOROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE, 4-(4-Amino-2-fluoro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester, AK-47897, 4-(4-Amino-2-fluorophenyl)piperazine,N1-BOC protected, 1-Piperazinecarboxylicacid, 4-(4-amino-2-fluorophenyl)-, 1,1-dimethylethyl ester, PubChem12196, ACMC-209db3, SCHEMBL660403, CTK3J8375, KS-00000IIY, DTXSID60583304, IULXQAJBODFBAK-UHFFFAOYSA-N, ALBB-030080, CS-M3008, KS-000023LN, ZINC8729817, ZX-AN080887, ZX-AP000638, ANW-21517, MFCD08443960, PC8788, AKOS005071984, CA-0604, MCULE-7244392209, RP15937, RTR-000004, VZ27762, AJ-58837, BBV-44993608, BR-47897, CJ-13535, AB0022496, AX8170698, DB-007891, DB-028595, TR-000004, 4CH-000654, AM20030052, FT-0083460, FT-0604259, FT-0680783, ST24031791, W3370, B-7324, I05-2346, J-524620, tertbutylaminofluorophenyltetrahydropyrazinecarboxylate, I14-32988, 4-(4-amino-2-fluoro-phenyl)piperazine-1-carboxylic acid tert-butyl ester, 4-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid tert-butyl ester, tert-Butyl4-(4-amino-2-fluorophenyl)tetrahydro-1(2H)-pyrazinecarboxylate, 1-Piperazinecarboxylic acid, 4-(4-amino-2-fluorophenyl)-, 1,1-dimethylethyl ester, C15H22FN3O2, 1000053-23-5, A3397,

Complexity	364
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	295.17g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	295.358g/mol
Monoisotopic Mass	295.17g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	58.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

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