AG00DEJS

5057-12-5 | 4,6,7,8-TETRAHYDRO-1H,3H-QUINOLINE-2,5-DIONE

AG00DEJS

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CAS Number	5057-12-5
Catalog Number	AG00DEJS(AGN-PC-0JPDHL)
Chemical Name	4,6,7,8-TETRAHYDRO-1H,3H-QUINOLINE-2,5-DIONE
IUPAC Name	1,3,4,6,7,8-hexahydroquinoline-2,5-dione
InChI	InChI=1S/C9H11NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-5H2,(H,10,12)
InChI Key	KNRFNTVMEIIKEB-UHFFFAOYSA-N
MDL Number	MFCD01111799
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
NSC Number	160504
SMILES	O=C1NC2=C(C(CCC2)=O)CC1
UNII	802Y8T7U1B
Synonyms	5057-12-5, 3,4,7,8-Tetrahydroquinoline-2,5(1H,6H)-dione, 4,6,7,8-Tetrahydro-1H,3H-quinoline-2,5-dione, 4,6,7,8-Tetrahydro-2,5(1H,3H)-quinolinedione, 1,3,4,6,7,8-hexahydroquinoline-2,5-dione, NSC160504, 1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione, UNII-802Y8T7U1B, 3,4,5,6,7,8-Hexahydrocarbostyril-5-one, 802Y8T7U1B, 2,5(1H,3H)-Quinolinedione, 4,6,7,8-tetrahydro-, 2,5-Dioxo-1,2,3,4,5,6,7,8-octahydroquinoline, AC1L6KMO, AC1Q6IN1, 4,6,7,8-tetrahydroquinoline-2,5(1h,3h)-dione, Carteolol HCl EP Impurity A, MLS000718640, N-(4-Mercaptopropionyl)glycine, SCHEMBL9802754, CHEMBL1878514, CTK4J2810, KS-00003DUI, DTXSID40198591, KNRFNTVMEIIKEB-UHFFFAOYSA-N, HMS1697L07, HMS2727L17, BCP20405, KS-00000NV5, ZINC1399612, MFCD01111799, SBB087907, AKOS004906524, MCULE-6474813197, NSC 160504, NSC-160504, RP02420, 3,5,6,7,8-Hexahydrocarbostyril-5-one, NCGC00244978-01, AJ-25651, AK124284, ASN 13378558, BC222930, CJ-04900, SMR000290908, ZB017288, ST2401819, TR-033427, 3,4,5,6, 7,8-Hexahydrocarbostyril-5-one, FT-0675020, Y9258, 2,3H)-Quinolinedione, 4,6,7,8-tetrahydro-, K-0075, 3,4,7,8-Tetrahydro-2,5(1H,6H)-quinolinedione, 7W-0869, I08-906, 2,5(1H,3H)-Quinolinedione,4,6,7,8-tetrahydro-, 3,4,7,8- tetrahydro-2,5(1H,6H)-quinolinedione, W-204288, Z1815155454, C9H11NO2, AR-1F8513, CID293641, 5115-09-3,

Complexity	278
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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

Lot Number