Basic information
- CAS
101468-13-7- Standard SMILES
CCN(CC)c1c(N)c(=O)oc2ccccc12- InChIKey
VGSSSRDHKMKFIO-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.12117776
Names & identifiers
- Preferred name
- Coumarin, 3-amino-4-diethylamino-
- IUPAC
- 3-amino-4-(diethylamino)chromen-2-one
Names & synonyms
101468-13-73-Amino-4-diethylaminocoumarinCOUMARIN, 3-AMINO-4-DIETHYLAMINO-3-amino-4-(diethylamino)chromen-2-oneBRN 1645275DTXSID10143937AKOS024359752ST509893603-Amino-4-(diethylamino)-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 3-amino-4-(diethylamino)-
Database identifiers
- CAS
101468-13-7- PubChem CID
- 58376
- DTXSID
DTXSID10143937- Nikkaji
- J67.656J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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