Completing data — usually done within a minute
Basic information
- CAS
14576-22-8- Standard SMILES
CC1(C)C(=O)NC(=O)c2cc(N)ccc21- InChIKey
SFEHKRXHTPYTHM-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- 7-amino-4,4-dimethylisoquinoline-1,3(2H,4H)-dione
- IUPAC
- 7-amino-4,4-dimethylisoquinoline-1,3-dione
Names & synonyms
14576-22-87-amino-4,4-dimethylisoquinoline-1,3(2H,4H)-dione1,3(2H,4H)-Isoquinolinedione, 7-amino-4,4-dimethyl-MFCD245509167-amino-4,4-dimethylisoquinoline-1,3-dioneSCHEMBL2102219DTXSID80543829SFEHKRXHTPYTHM-UHFFFAOYSA-NAS-91838SY2682877-Amino-4,4-dimethyl-isoquinolin-1,3-dione7-amino-4,4-dimethyl-isoquinoline-1,3-dione
Show more names
E70197F8452097-amino-4,4-dimethylisoquinoline-1,3 (2H,4H)-dione
Database identifiers
- CAS
14576-22-8- PubChem CID
- 13558151
- DTXSID
DTXSID80543829
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 312
Chemistry & industry
Suppliers1 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Related reactions
13 records
Compound notes
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