Basic information
- CAS
59940-27-1- Standard SMILES
O=c1[nH]nc(NCCCCO)c2ccccc12- InChIKey
BEBSSLQMCWOBGG-UHFFFAOYSA-N- Molecular formula
- C12H15N3O2
- Average molar mass
- 233.27 g/mol
- Monoisotopic mass
- 233.11642673
Names & identifiers
- Preferred name
- 4-(4-hydroxybutylamino)-2H-phthalazin-1-one
- IUPAC
- 4-(4-hydroxybutylamino)-2H-phthalazin-1-one
Names & synonyms
59940-27-14-((4-Hydroxybutyl)amino)phthalazin-1(2H)-one4-(4-hydroxybutylamino)-2H-phthalazin-1-one4-[(4-Hydroxybutyl)amino]phthalazin-1(2H)-oneNSC287467DTXSID80314692NSC 287467NSC-287467
Database identifiers
- CAS
59940-27-1- PubChem CID
- 323974
- DTXSID
DTXSID80314692
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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