Cas no 75690-06-1 (6,8(2H,7H)-Isoquinolinedione, hexahydro-2-methyl-)
75690-06-1 structure
Product Name:6,8(2H,7H)-Isoquinolinedione, hexahydro-2-methyl-
CAS No:75690-06-1
MF:C10H15NO2
MW:181.231602907181
CID:539140
PubChem ID:12855933
Update Time:2025-04-19
6,8(2H,7H)-Isoquinolinedione, hexahydro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 6,8(2H,7H)-Isoquinolinedione, hexahydro-2-methyl-
- 2-methyl-1,3,4,4a,5,8a-hexahydroisoquinoline-6,8-dione
- DTXSID60511546
- SCHEMBL10914727
- hexahydro-2-methyl-6,8(1H,7H)-isoquinolinedione
- 75690-06-1
- 2-methyl-2,3,4,4a,5,8a-hexahydro-1H-isoquinoline-6,8-dione
- 2-Methylhexahydroisoquinoline-6,8(2H,7H)-dione
- octahydro-2-methylisoquinolin-6,8-dione
- JIHKVQUFCHKYRB-UHFFFAOYSA-N
- 2-methylhexahydro-6,8(2H,7H)-isoquinolinedione
-
- Inchi： 1S/C10H15NO2/c1-11-3-2-7-4-8(12)5-10(13)9(7)6-11/h7,9H,2-6H2,1H3
- InChI Key： JIHKVQUFCHKYRB-UHFFFAOYSA-N
- SMILES： O=C1CC(CC2CCN(C)CC21)=O
Computed Properties
- Exact Mass: 181.11035
- Monoisotopic Mass: 181.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 249
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.1
- Topological Polar Surface Area: 37.4?2
Experimental Properties
- PSA: 37.38
6,8(2H,7H)-Isoquinolinedione, hexahydro-2-methyl- Related Literature
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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