4-Dipropylamino-3-nitrocoumarin
Basic information
- CAS
50527-32-7- Standard SMILES
CCCN(CCC)c1c([N+](=O)[O-])c(=O)oc2ccccc12- InChIKey
YXNQAAAQDAFEDN-UHFFFAOYSA-N- Molecular formula
- C15H18N2O4
- Average molar mass
- 290.31 g/mol
- Monoisotopic mass
- 290.12665706
Names & identifiers
- Preferred name
- 4-Dipropylamino-3-nitrocoumarin
- IUPAC
- 4-(dipropylamino)-3-nitrochromen-2-one
Names & synonyms
50527-32-74-(dipropylamino)-3-nitro-2H-chromen-2-oneCOUMARIN, 4-DIPROPYLAMINO-3-NITRO-4-Dipropylamino-3-nitrocoumarinBRN 47344624-(dipropylamino)-3-nitrochromen-2-one4-Dipropylamino-3-nitro-chromen-2-oneBAS 01052284Oprea1_074593MLS000553359CHEMBL1409955DTXSID40198536
Show more names
HMS2524G18STK997157AKOS000636229NCGC00245223-01SMR000176404ST50244919SR-010003176554-(Dipropylamino)-3-nitro-2H-1-benzopyran-2-one
Database identifiers
- CAS
50527-32-7- PubChem CID
- 39687
- DTXSID
DTXSID40198536- ChEMBL
CHEMBL1409955- Nikkaji
- J67.682I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 435
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Related reactions
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Compound notes
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