Basic information
- CAS
80944-69-0- Standard SMILES
CN(CCCCN)c1ccc2c(=O)[nH][nH]c(=O)c2c1- InChIKey
NVOWEQPSRQXFQE-UHFFFAOYSA-N- Molecular formula
- C13H18N4O2
- Average molar mass
- 262.31 g/mol
- Monoisotopic mass
- 262.14297583
Names & identifiers
- Preferred name
- 6-[(4-Aminobutyl)(methyl)amino]-2,3-dihydrophthalazine-1,4-dione
- IUPAC
- 6-[4-aminobutyl(methyl)amino]-2,3-dihydrophthalazine-1,4-dione
- English name
- 6-[(4-Aminobutyl)methylamino]phthalazine-1,4(2H,3H)-dione
- Molecular formula
- C13H18N4O2
- Molecular weight
- 262.31
Names & synonyms
80944-69-0NSC6223156-[(4-aminobutyl)(methyl)amino]-2,3-dihydrophthalazine-1,4-dioneSCHEMBL1763897CHEMBL1974052DTXSID20326931NSC-622315NCI60_0064896-[(4-Aminobutyl)methylamino]phthalazine-1,4(2H,3H)-dione6-[(4-Aminobutyl)methylamino]-2,3-dihydro-1,4-phthalazinedione1,4-Phthalazinedione, 6-[(4-aminobutyl)methylamino]-2,3-dihydro-
Database identifiers
- CAS
80944-69-0- PubChem CID
- 360281
- DTXSID
DTXSID20326931- ChEMBL
CHEMBL1974052- Nikkaji
- J228.107D
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 11.1 · 11.10±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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