AG00FE90

744219-43-0 | tert-Butyl 4-(1H-indazol-6-yl)piperazine-1-carboxylate

AG00FE90

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CAS Number	744219-43-0
Catalog Number	AG00FE90(AGN-PC-073ALU)
Chemical Name	tert-Butyl 4-(1H-indazol-6-yl)piperazine-1-carboxylate
IUPAC Name	tert-butyl 4-(1H-indazol-6-yl)piperazine-1-carboxylate
InChI	InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-8-6-19(7-9-20)13-5-4-12-11-17-18-14(12)10-13/h4-5,10-11H,6-9H2,1-3H3,(H,17,18)
InChI Key	HYKLCBVCBVKEDJ-UHFFFAOYSA-N
MDL Number	MFCD11559043
Molecular Formula	C16H22N4O2
Molecular Weight	302.3715
SMILES	O=C(N1CCN(C2=CC3=C(C=C2)C=NN3)CC1)OC(C)(C)C
Synonyms	744219-43-0, TERT-BUTYL 4-(1H-INDAZOL-6-YL)PIPERAZINE-1-CARBOXYLATE, 6-(4-BOC-PIPERAZIN-1-YL)-1H-INDAZOLE, SCHEMBL3956511, CTK9A3585, DTXSID00658020, HYKLCBVCBVKEDJ-UHFFFAOYSA-N, ACT10159, MFCD11559043, ZINC40434559, AKOS027254945, AN-27543, AS-30053, CJ-20068, 219B430, A838123, 6-[4-(t-butoxycarbonyl)piperazin-1-yl]-1h-indazole, 4-(1H-indazol-6-yl)-1-piperazinecarboxylic acid tert-butyl ester, 4-(1H-Indazol-6-yl)-piperazine-1-carboxylic acid tert-butyl ester, TERT-BUTYL4- PIPERAZINE-1-CARBOXYLATE, 6-[4-(tert-Butoxycarbonyl)piperazin-1-yl]-1H-indazole,

Complexity	401
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	302.174g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	302.378g/mol
Monoisotopic Mass	302.174g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	61.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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