AG005WDC

712-30-1 | 6-Pteridinecarboxaldehyde,2-amino-3,4-dihydro-4-oxo-

AG005WDC

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CAS Number	712-30-1
Catalog Number	AG005WDC(AGN-PC-0OGYWL)
Chemical Name	6-Pteridinecarboxaldehyde,2-amino-3,4-dihydro-4-oxo-
IUPAC Name	2-amino-4-oxo-3H-pteridine-6-carbaldehyde
InChI	InChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2H,(H3,8,9,11,12,14)
InChI Key	LLJAQDVNMGLRBD-UHFFFAOYSA-N
MDL Number	MFCD00038691
Molecular Formula	C7H5N5O2
Molecular Weight	191.1469
SMILES	O=CC1=CN=C2N=C(N)NC(C2=N1)=O
Synonyms	2-amino-4-hydroxy-6-formylpteridine, 6-formylpterin, pterin-6-aldehyde, 6-Formylpterin, Pterin-6-aldehyde, 2-Amino-4-hydroxy-6-formylpteridine, 712-30-1, 2-Amino-4-Oxo-3,4-Dihydropteridine-6-Carbaldehyde, 2-AMINO-6-FORMYLPTERIDIN-4-ONE, CHEBI:70981, 2-amino-4-hydroxypteridine-6-carboxaldehyde, 2-amino-3,4-dihydro-4-oxo-6-pteridinecarboxaldehyde, 2-amino-4-hydroxy-6-pteridylcarboxaldehyde, 2-amino-4-hydroxy-6-pteridinecarboxaldehyde, 2-amino-1,4-dihydro-4-oxo-6-pteridinecarboxaldehyde, 6-Pteridinecarboxaldehyde,2-amino-3,4-dihydro-4-oxo-, 2-amino-3,4-dihydro-4-oxopteridine-6-carboxaldehyde, 6-formyl pterin, Epitope ID:178098, Oprea1_253099, SCHEMBL398501, AC1L454X, EOS553, CHEMBL3314206, CTK5D3733, CTK7I0444, DTXSID20221396, LLJAQDVNMGLRBD-UHFFFAOYSA-N, 2-Amino-4-hydroxy-6-formylpteridin, SBB091247, ZINC13525580, AKOS000276932, FCH1313084, 2-amino-4-hydroxypteridine-6-carbaldehyde, 2-amino-4-oxo-1H-pteridine-6-carbaldehyde, FT-0661826, 2-AMINO-4-HYDROXY-PTERIDINE-6-CARBALDEHYDE, 2-amino-4-oxo-1,4-dihydropteridine-6-carbaldehyde, 2-amino-4-oxo-3,4-dihydro-6-pteridinecarbaldehyde, 6-Pteridinecarboxaldehyde, 2-amino-3,4-dihydro-4-oxo-, 6-Hydroxymethylpterin, C7H5N5O2, C7-H5-N5-O2, CID150847, C005926, HHR,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.044g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	191.15g/mol
Monoisotopic Mass	191.044g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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