AG002BO6

198627-86-0 | 1-Piperazinecarboxylic acid, 4-(3-hydroxyphenyl)-, 1,1-dimethylethyl ester

AG002BO6

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CAS Number	198627-86-0
Catalog Number	AG002BO6(AGN-PC-01ZIX0)
Chemical Name	1-Piperazinecarboxylic acid, 4-(3-hydroxyphenyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate
InChI	InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-9-7-16(8-10-17)12-5-4-6-13(18)11-12/h4-6,11,18H,7-10H2,1-3H3
InChI Key	MIQHJGPQPMQVOT-UHFFFAOYSA-N
MDL Number	MFCD04115061
Molecular Formula	C15H22N2O3
Molecular Weight	278.3468
SMILES	O=C(N1CCN(C2=CC=CC(O)=C2)CC1)OC(C)(C)C
Synonyms	198627-86-0, tert-butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate, 1-Boc-4-(3-hydroxyphenyl)piperazine, 1-(3-HYDROXY-PHENYL)-PIPERAZINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER, 4-(3-Hydroxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester, 1-BOC-4-(3-HYDROXY-PHENYL)-PIPERAZINE, 1-Piperazinecarboxylic acid, 4-(3-hydroxyphenyl)-, 1,1-dimethylethylester, SCHEMBL1958401, CTK4E2578, DTXSID60595422, MIQHJGPQPMQVOT-UHFFFAOYSA-N, ZINC2527249, 7763AH, MFCD04115061, AKOS024258350, AB19542, AJ-37908, AS-44910, SC-58671, SY023341, DB-065975, RT-006016, 3-[4-(tert-Butoxycarbonyl)piperazino]phenol, FT-0729503, EN300-80825, MFCD04115061 (95%), H57276, K-5812, A814017, 1-(3-hydroxy-phenyl)-piperazine-4-carboxylic acid, Z1462661417, 1,1-Dimethylethyl 4-(3-Hydroxyphenyl)-1-piperazinecarboxylate, 1-(3-hydroxyphenyl)piperazine-4-carboxylic acid tert-butyl ester, 4-(3-hydroxyphenyl)-1-piperazinecarboxylic acid tert-butyl ester, 1-PIPERAZINECARBOXYLIC ACID, 4-(3-HYDROXYPHENYL)-, 1,1-DIMETHYLETHYL ESTER, C15H22N2O3,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.163g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	278.352g/mol
Monoisotopic Mass	278.163g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	53A^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-H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

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