5-Amino-6,8-dimethyl-2,3-dihydro-4H-chromen-4-one

HCID 339356

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Basic information

CAS: 78105-22-3
Standard SMILES: Cc1cc(C)c2c(c1N)C(=O)CCO2
InChIKey: UDSMLTIIKHDWAK-UHFFFAOYSA-N
Molecular formula: C11H13NO2
Average molar mass: 191.23 g/mol
Monoisotopic mass: 191.09462866

Names & identifiers

Preferred name: 5-Amino-6,8-dimethyl-2,3-dihydro-4H-chromen-4-one
IUPAC: 5-amino-6,8-dimethyl-2,3-dihydrochromen-4-one

Names & synonyms

78105-22-35-Amino-6,8-dimethyl-2,3-dihydro-4H-chromen-4-one6Q8TPW15F3UNII-6Q8TPW15F3NSC 365630NSC-365630DTXSID002287475-AMINO-6,8-DIMETHYL-4-CHROMANONE5-AMINO-2,3-DIHYDRO-6,8-DIMETHYL-4H-1-BENZOPYRAN-4-ONE4H-1-BENZOPYRAN-4-ONE, 5-AMINO-2,3-DIHYDRO-6,8-DIMETHYL-RefChem:101968DTXCID50151238

Show more names

5-amino-6,8-dimethylchroman-4-oneNSC3656305-amino-6,8-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one4H-1-Benzopyran-4-one,5-amino-2,3-dihydro-6,8-dimethyl-5-amino-6,8-dimethyl-chroman-4-oneAKOS006321455DS-0150635-Amino-6,8-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one

Database identifiers

CAS: 78105-22-3
PubChem CID: 339356
DTXSID: DTXSID00228747
UNII: 6Q8TPW15F3

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 241

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