1-Phthalazinecarboxylic acid, 4-oxo-3-phenyl-, 3-(dimethylamino)propyl ester, hydrochloride
Basic information
- CAS
21131-15-7- Standard SMILES
CN(C)CCCOC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12.Cl- InChIKey
VYDSKPDPXZUJIJ-UHFFFAOYSA-N- Molecular formula
- C20H22ClN3O3
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1349693
Names & identifiers
- Preferred name
- 1-Phthalazinecarboxylic acid, 4-oxo-3-phenyl-, 3-(dimethylamino)propyl ester, hydrochloride
- IUPAC
- 3-(dimethylamino)propyl 4-oxo-3-phenylphthalazine-1-carboxylate;hydrochloride
Names & synonyms
21131-15-71-Phthalazinecarboxylic acid, 4-oxo-3-phenyl-, 3-(dimethylamino)propyl ester, hydrochlorideDTXSID801753664-Oxo-3-phenyl-1-phthalazinecarboxylic acid, 3-(dimethylamino)propyl ester, hydrochlorideRefChem:233315DTXCID20978573-(Dimethylamino)propyl 4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate hydrochloride3-(Dimethylamino)propyl 4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
21131-15-7- PubChem CID
- 210208
- DTXSID
DTXSID80175366
Properties
Computed structural properties
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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