Basic information
- CAS
26078-24-0- Standard SMILES
CNc1cc2oc(=O)cc(C)c2cc1C- InChIKey
RIZOSFDXIXBLIP-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- 4,6-Dimethyl-7-(methylamino)-2H-1-benzopyran-2-one
- IUPAC
- 4,6-dimethyl-7-(methylamino)chromen-2-one
- English name
- 4,6-dimethyl-7-(methylamino)-2-benzopyrone
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
26078-24-0YEY5D3FJE72H-1-Benzopyran-2-one, 4,6-dimethyl-7-(methylamino)-4,6-Dimethyl-7-methylamino-coumarinNSC-939484,6-Dimethyl-7-(methylamino)-2H-1-benzopyran-2-oneRefChem:1069512247-445-94,6-Dimethyl-7-methylaminocoumarin4,6-Dimethyl-7-(methylamino)-2-benzopyroneNSC93948COUMARIN, 4,6-DIMETHYL-7-METHYLAMINO-
Show more names
4,6-Dimethyl-7-(methylamino)coumarin
Coumarin, 4,6-dimethyl-7-(methylamino)-EINECS 247-445-9NSC 93948AI3-600484,6-dimethyl-7-(methylamino)chromen-2-oneUNII-YEY5D3FJE74,6-Dimethyl-7-(methylamino)-2H-chromen-2-oneOprea1_720114
Database identifiers
- CAS
26078-24-0- PubChem CID
- 33293
- DTXSID
DTXSID20180712- ChEMBL
CHEMBL2000184- UNII
- YEY5D3FJE7
- EC Number
- 247-445-9
- Nikkaji
- J48.491A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- FDA UNII
- 5 D3FJE7 · YEY5D3FJE7
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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