AG003KA8

107558-48-5 | 4-(Pyridin-4-ylmethyl)phthalazin-1(2H)-one

AG003KA8

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CAS Number	107558-48-5
Catalog Number	AG003KA8(AGN-PC-0NWOJW)
Chemical Name	4-(Pyridin-4-ylmethyl)phthalazin-1(2H)-one
IUPAC Name	4-(pyridin-4-ylmethyl)-2H-phthalazin-1-one
InChI	InChI=1S/C14H11N3O/c18-14-12-4-2-1-3-11(12)13(16-17-14)9-10-5-7-15-8-6-10/h1-8H,9H2,(H,17,18)
InChI Key	NIQMWTLRDNQDIA-UHFFFAOYSA-N
MDL Number	MFCD00443664
Molecular Formula	C14H11N3O
Molecular Weight	237.2566
SMILES	O=C1NN=C(CC2=CC=NC=C2)C3=C1C=CC=C3
Synonyms	107558-48-5, 4-(pyridin-4-ylmethyl)phthalazin-1(2H)-one, 4-(4-Pyridylmethyl)-1(2H)-phthalazinone, 4-(pyridin-4-ylmethyl)-2H-phthalazin-1-one, 4-(pyridin-4-ylmethyl)phthalazin-1-ol, 4-(4-Pyridylmethyl)-1(2H)-phtalazinone, 4-(4-Pyridinylmethyl)-1(2H)-phthalazinone, MFCD00443664, 1(2H)-Phthalazinone,4-(4-pyridinylmethyl)-, 4-(pyridin-4-ylmethyl)-1,2-dihydrophthalazin-1-one, Enamine_000224, ChemDiv1_000169, AC1LG70U, Cambridge id 5237055, Oprea1_547303, Oprea1_610142, Oprea1_698345, CBDivE_008555, SCHEMBL905630, CTK8B5356, HMS587H15, DTXSID10355038, NIQMWTLRDNQDIA-UHFFFAOYSA-N, 4-(4-pyridylmethyl)-phthalazinone, HMS1394K04, BCP22597, KS-00000H3M, ANW-48484, RW2286, SBB098799, STL058661, STL302072, ZINC12341445, AKOS001592510, AKOS005710825, DS-3710, MCULE-7519961894, RP28278, SDCCGMLS-0064505.P001, VZ27833, AJ-61165, AK-10140, AM808103, BR-10140, 4-(4-pyridylmethyl)-1 (2H)-phthalazinone, AB0034659, TL8000265, A2090, FT-0642637, X8848, 4-(4-pyridylmethyl)-2-hydrophthalazin-1-one, 1(2H)-Phthalazinone, 4-(4-pyridinylmethyl)-, S-3821, 4-[(Pyridin-4-yl)methyl]phthalazin-1(2H)-one, AB00076240-01, SR-01000394499, I14-9210, J-513567, SR-01000394499-1, 4-(4-Pyridylmethyl)-1(2H)-phthalazinone, AldrichCPR, F9995-0067, C14H11N3O, CID789954, ZINC00290041, 4-[(Pyridin-4-yl)methyl]-2H-phthalazin-1-one, N/A,

Complexity	347
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.09g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	237.262g/mol
Monoisotopic Mass	237.09g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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