Basic information
- CAS
7509-71-9- Standard SMILES
CCCCNc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1- InChIKey
GYUMLYPKSZXQIW-UHFFFAOYSA-N- Molecular formula
- C21H23NO2
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.17287898
Names & identifiers
- Preferred name
- 3-Benzyl-7-butylamino-4-methyl-chromen-2-one
- IUPAC
- 3-benzyl-7-(butylamino)-4-methylchromen-2-one
- English name
- 3-benzyl-7-butylamino-4-methyl-chromen-2-one
- Molecular formula
- C21H23NO2
- Molecular weight
- 0
Names & synonyms
7509-71-93-BENZYL-7-BUTYLAMINO-4-METHYL-CHROMEN-2-ONE3-Benzyl-7-(butylamino)-4-methyl-2H-chromen-2-oneNSC408163DTXSID40325002NSC-408163DS-0047603-Benzyl-7-(butylamino)-4-methyl-2H-1-benzopyran-2-one
Database identifiers
- CAS
7509-71-9- PubChem CID
- 348709
- DTXSID
DTXSID40325002
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 464
Chemistry & industry
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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