Basic information
- CAS
391894-28-3- Standard SMILES
Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1- InChIKey
NFARCWSYFRPOOP-UHFFFAOYSA-N- Molecular formula
- C14H11N3O
- Average molar mass
- 237.26 g/mol
- Monoisotopic mass
- 237.09021198
Names & identifiers
- Preferred name
- 4-(3-aminophenyl)-2H-phthalazin-1-one
- IUPAC
- 4-(3-aminophenyl)-2H-phthalazin-1-one
- English name
- 4-(3-Amino-phenyl)-2H-phthalazin-1-one
- Molecular formula
- C14H11N3O
- Molecular weight
- 237.26
Names & synonyms
4-(3-aminophenyl)-2H-phthalazin-1-one391894-28-34-(3-AMINOPHENYL)PHTHALAZIN-1(2H)-ONESCHEMBL6793296DTXSID80359129I770734-(3-Amino-phenyl)-2H-phthalazin-1-one1(2H)-Phthalazinone, 4-(3-aminophenyl)-
Database identifiers
- CAS
391894-28-3- PubChem CID
- 943113
- DTXSID
DTXSID80359129
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 11.91 · 11.91±0.40(Predicted)
Chemistry & industry
Suppliers1 total
ZERENEX[email protected]
Related reactions
5 records
Compound notes
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