AG001ZIT

1742-95-6 | 1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-amino-

AG001ZIT

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CAS Number	1742-95-6
Catalog Number	AG001ZIT(AGN-PC-0JK5Z6)
Chemical Name	1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-amino-
EC Number	217-110-1
IUPAC Name	6-aminobenzo[de]isoquinoline-1,3-dione
InChI	InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)
InChI Key	SSMIFVHARFVINF-UHFFFAOYSA-N
MDL Number	MFCD00006921
Molecular Formula	C12H8N2O2
Molecular Weight	212.2041
SMILES	O=C1NC(C2=CC=C(N)C3=CC=CC1=C23)=O
Synonyms	4-amino-1,8-naphthalimide, 4-amino1,8-naphthalimide, 4-Amino-1,8-naphthalimide, 1742-95-6, 4-Aminonaphthalimide, 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE, 6-Amino-1H-benzo[de]isoquinoline-1,3(2H)-dione, 4-Aminonaphthalene-1,8-dicarboximide, Naphthalimide, 4-amino-, DFP 1, 6-aminobenzo[de]isoquinoline-1,3-dione, 1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-amino-, EINECS 217-110-1, BRN 0177185, PARP Inhibitor V, 4-ANI, CHEMBL338790, CHEBI:40071, SSMIFVHARFVINF-UHFFFAOYSA-N, 4-AMINO-1,8 NAPHTHALIMIDE, 6-Amino-1H-benz(de)isoquinoline-1,3(2H)-dione, MFCD00006921, 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-amino-, 4AN, 2pax, AC1Q6JKU, Lopac-A-0966, 4-ANI, Lopac0_000063, SCHEMBL21124, BSPBio_001430, KBioGR_000150, KBioSS_000150, 4-22-00-06603 (Beilstein Handbook Reference), AC1L1C36, ZINC8558, DTXSID6061941, BCBcMAP01_000231, BDBM27498, CTK8F5667, KBio2_000150, KBio2_002718, KBio2_005286, KBio3_000299, KBio3_000300, Bio1_000370, Bio1_000859, Bio1_001348, Bio2_000150, Bio2_000630, HMS1361H12, HMS1791H12, HMS1989H12, HMS3260M07, HMS3402H12, BB_SC-07136, 4-Amino-1,8-naphthalimide, 95%, 4-Amino-1,8-naphthalimide, 96%, Tox21_500063, BBL027625, SBB003425, STK934866, AKOS005664748, AC-6718, CCG-204158, DB07096, LP00063, MCULE-5608953652, IDI1_033900, NCGC00015035-01, NCGC00015035-02, NCGC00015035-03, NCGC00015035-04, NCGC00015035-05, NCGC00015035-06, NCGC00015035-07, NCGC00093577-01, NCGC00093577-02, NCGC00093577-03, NCGC00093577-04, NCGC00093577-05, NCGC00260748-01, AJ-08314, AN-20710, AS-35824, CC-17680, LS-33496, ZB000667, AX8093535, A8840, EU-0100063, FT-0633814, ST50825610, A 0966, A-2606, 6-amino-1H-benz[de]-isoquinoline-1,3(2H)-dione, 7-Amino-3-hydroxy-1H-benzo[de]isoquinolin-1-one, C-30851, SR-01000075200, J-010976, SR-01000075200-1, 6-Amino-1H-benzo[de]isoquinoline-1,3(2H)-dione #, BRD-K50214219-001-02-4, I14-18437, 10-amino-3-azatricyclo[7.3.1.0?,??]trideca-1(13),5,7,9,11-pentaene-2,4-dione, 10-amino-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione, 4-aminonaphthalene-1,8-dicarboxylic anhydride;6-Aminobenz[de]isochromene-1,3-dione, PARP Inhibitor, 4-amino1,8-naphthalimide, D03JTS, D09VUP, C12H8N2O2, CID1720, AR-1G0938, C12-H8-N2-O2, C086538, 6492-86-0, 6641-66-3,

Complexity	342
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.059g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	212.208g/mol
Monoisotopic Mass	212.059g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	72.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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