1-Phthalazinecarboxylic acid, 4-oxo-3-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
Basic information
- CAS
21131-13-5- Standard SMILES
CCN(CC)CCOC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12.Cl- InChIKey
LGZRJGIWUUCCFL-UHFFFAOYSA-N- Molecular formula
- C21H24ClN3O3
- Average molar mass
- 401.9 g/mol
- Monoisotopic mass
- 401.1506193
Names & identifiers
- Preferred name
- 1-Phthalazinecarboxylic acid, 4-oxo-3-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
- IUPAC
- 2-(diethylamino)ethyl 4-oxo-3-phenylphthalazine-1-carboxylate;hydrochloride
Names & synonyms
21131-13-51-Phthalazinecarboxylic acid, 4-oxo-3-phenyl-, 2-(diethylamino)ethyl ester, hydrochlorideDTXSID201753654-Oxo-3-phenyl-1-phthalazinecarboxylic acid, 2-(diethylamino)ethyl ester, hydrochlorideRefChem:233314DTXCID70978562-(Diethylamino)ethyl 4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
21131-13-5- PubChem CID
- 210206
- DTXSID
DTXSID20175365
Properties
Computed structural properties
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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