AG00BJKM

221050-89-1 | tert-Butyl 4-(pyrimidin-4-yl)piperazine-1-carboxylate

AG00BJKM

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CAS Number	221050-89-1
Catalog Number	AG00BJKM(AGN-PC-01WGML)
Chemical Name	tert-Butyl 4-(pyrimidin-4-yl)piperazine-1-carboxylate
IUPAC Name	tert-butyl 4-pyrimidin-4-ylpiperazine-1-carboxylate
InChI	InChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-8-6-16(7-9-17)11-4-5-14-10-15-11/h4-5,10H,6-9H2,1-3H3
InChI Key	KQDGVJCIWVOYPX-UHFFFAOYSA-N
MDL Number	MFCD26383921
Molecular Formula	C13H20N4O2
Molecular Weight	264.3235
SMILES	O=C(N1CCN(C2=NC=NC=C2)CC1)OC(C)(C)C
Synonyms	tert-Butyl 4-(pyrimidin-4-yl)piperazine-1-carboxylate, 221050-89-1, SCHEMBL6978431, DTXSID50594146, MFCD26383921, ZINC95093082, AKOS016014935, DS-2929, MP-0838, AK130474, CJ-22659, AB0069319, AJ-132180, ST2419961, 4CH-012444, Z4429, tert-butyl 4-pyrimidin-4-ylpiperazine-1-carboxylate, KQDGVJCIWVOYPX-UHFFFAOYSA-N, C13H20N4O2, tert-Butyl4-(pyrimidin-4-yl)piperazine-1-carboxylate,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.159g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	264.329g/mol
Monoisotopic Mass	264.159g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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