Basic information
- CAS
3468-07-3- Standard SMILES
Cc1c(-c2ccccc2)oc2c(C(=O)OCCC[NH+](C)C)cccc2c1=O.[Cl-]- InChIKey
SVYSLEYCAUEQJE-UHFFFAOYSA-N- Molecular formula
- C22H24ClNO4
- Average molar mass
- 401.9 g/mol
- Monoisotopic mass
- 401.1393859
Names & identifiers
- Preferred name
- 3-(Dimethylamino)propyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate--hydrogen chloride (1/1)
- IUPAC
- dimethyl-[3-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxypropyl]azanium chloride
Names & synonyms
3468-07-3DTXSID109561653-(Dimethylamino)propyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate--hydrogen chloride (1/1)RefChem:1067117DTXCID6013841384H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 3-(dimethylamino)propyl ester, hydrochlorideREC 7-0248
Database identifiers
- CAS
3468-07-3- PubChem CID
- 18976
Properties
Computed structural properties
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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