AG00EK84

570409-85-7 | 3-Iodo-3H-pyrazolo[3,4-d]pyrimidin-4-amine

AG00EK84

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CAS Number	570409-85-7
Catalog Number	AG00EK84(AGN-PC-0BKET4)
Chemical Name	3-Iodo-3H-pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC Name	3-iodo-3H-pyrazolo[3,4-d]pyrimidin-4-amine
InChI	InChI=1S/C5H4IN5/c6-3-2-4(7)8-1-9-5(2)11-10-3/h1,3H,(H2,7,8,9)
InChI Key	VTOKBIDGOAGKEO-UHFFFAOYSA-N
MDL Number	MFCD22199243
Molecular Formula	C5H4IN5
Molecular Weight	261.0232
SMILES	NC1=NC=NC2=C1C(I)N=N2
Synonyms	3-iodo-3H-Pyrazolo[3,4-d]pyrimidin-4-amine, 570409-85-7, CTK8C3177, DTXSID20718857, ANW-69777, MFCD22199243, AM81013, AK100951, AX8241856, TC-010571, ST24022916, 3H-Pyrazolo[3,4-d]pyrimidin-4-amine,3-iodo-,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	260.951g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	261.026g/mol
Monoisotopic Mass	260.951g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	76.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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