Basic information
- CAS
59940-34-0- Standard SMILES
CCN(CC)CCNc1n[nH]c(=O)c2ccccc12- InChIKey
WOWSRNNXNJLTEJ-UHFFFAOYSA-N- Molecular formula
- C14H20N4O
- Average molar mass
- 260.33 g/mol
- Monoisotopic mass
- 260.16371127
Names & identifiers
- Preferred name
- 4-(2-diethylaminoethylamino)-2H-phthalazin-1-one
- IUPAC
- 4-[2-(diethylamino)ethylamino]-2H-phthalazin-1-one
Names & synonyms
NSC28747059940-34-04-(2-diethylaminoethylamino)-2H-phthalazin-1-oneDTXSID60314695NSC-2874704-{[2-(Diethylamino)ethyl]amino}phthalazin-1(2H)-one1(2H)-Phthalazinone, 4-[[2-(diethylamino)ethyl]amino]-
Database identifiers
- CAS
59940-34-0- PubChem CID
- 323977
- DTXSID
DTXSID60314695
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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