Basic information
- CAS
3468-05-1- Standard SMILES
CCC[NH+](CCC)CCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12.[Cl-]- InChIKey
MAWACQRSRPBAHL-UHFFFAOYSA-N- Molecular formula
- C25H30ClNO4
- Average molar mass
- 444 g/mol
- Monoisotopic mass
- 443.1863361
Names & identifiers
- Preferred name
- 2-(Dipropylamino)ethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate--hydrogen chloride (1/1)
- IUPAC
- 2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl-dipropylazanium chloride
Names & synonyms
3468-05-1DTXSID909561632-(Dipropylamino)ethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate--hydrogen chloride (1/1)RefChem:1061826DTXCID201384136Dipropylaminoethyl 3-methylflavone-8-carboxylate hydrochlorideREC 7-02494H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(dipropylamino)ethyl ester, hydrochloride
Database identifiers
- CAS
3468-05-1- PubChem CID
- 18972
Properties
Computed structural properties
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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