3-amino-4-(dimethylamino)-2H-chromen-2-one
Basic information
- CAS
313496-82-1- Standard SMILES
CN(C)c1c(N)c(=O)oc2ccccc12- InChIKey
RMILQQGLPHOCSS-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- 3-amino-4-(dimethylamino)-2H-chromen-2-one
- IUPAC
- 3-amino-4-(dimethylamino)chromen-2-one
Names & synonyms
3-amino-4-(dimethylamino)-2H-chromen-2-one313496-82-13-amino-4-(dimethylamino)chromen-2-one3-Amino-4-(dimethylamino)-2H-1-benzopyran-2-oneChemDiv2_000021Oprea1_066627Oprea1_803765MLS000712979CHEMBL1497253DTXSID201324778HMS1369A21HMS2669O11
Show more names
AKOS000639909SMR000282746CS-0333128ST50008217AH-034/32475056AH-262/31958010SR-01000390144SR-01000390144-1
Database identifiers
- CAS
313496-82-1- PubChem CID
- 768384
- DTXSID
DTXSID201324778- ChEMBL
CHEMBL1497253
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 310
Experimental & physicochemical properties
Solubility27.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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