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4-Dimethylamino-2-methyl-isoindole-1,3-dione

HCID 649666
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Basic information

CAS
16808-96-1
Standard SMILES
CN1C(=O)c2cccc(N(C)C)c2C1=O
InChIKey
HALATFSDYSONPP-UHFFFAOYSA-N
Molecular formula
C11H12N2O2
Average molar mass
204.22 g/mol
Monoisotopic mass
204.08987763

Names & identifiers

Preferred name
4-Dimethylamino-2-methyl-isoindole-1,3-dione
IUPAC
4-(dimethylamino)-2-methylisoindole-1,3-dione

Names & synonyms

16808-96-14-(Dimethylamino)-2-methylisoindoline-1,3-dione4-Dimethylamino-2-methyl-isoindole-1,3-dione3-dimethylamino-N-methylphthalimid4-(dimethylamino)-2-methyl-2,3-dihydro-1H-isoindole-1,3-dioneSMR000011399Oprea1_140973MLS000029115CHEMBL1571293SCHEMBL15033490DTXSID40349485HMS2482L23
Show more names
AKOS000589372SR-01000355777SR-01000355777-14-(Dimethylamino)-2-methyl-1H-isoindole-1,3(2H)-dione

Database identifiers

CAS
16808-96-1
PubChem CID
649666
DTXSID
DTXSID40349485
ChEMBL
CHEMBL1571293
Nikkaji
J668.300B

Properties

Computed structural properties

XLogP
1
Topological polar surface area
40.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
301

Experimental & physicochemical properties

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Compound notes

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