Basic information
- CAS
4912-19-0- Standard SMILES
O=C1c2cccc3cccc(c23)C(=O)N1CCCN(CCO)CCO- InChIKey
DVRSUFQPSWBLIR-UHFFFAOYSA-N- Molecular formula
- C19H22N2O4
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.15795719
Names & identifiers
- Preferred name
- 2-[3-[Bis(2-hydroxyethyl)amino]propyl]benzo[de]isoquinoline-1,3-dione
- IUPAC
- 2-[3-[bis(2-hydroxyethyl)amino]propyl]benzo[de]isoquinoline-1,3-dione
Names & synonyms
NSC3776084912-19-02-(3-(Bis(2-hydroxyethyl)amino)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione2-{3-[Bis(2-hydroxyethyl)amino]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione2-[3-[bis(2-hydroxyethyl)amino]propyl]benzo[de]isoquinoline-1,3-dioneSCHEMBL10719190DTXSID70321552NSC-377608
Database identifiers
- CAS
4912-19-0- PubChem CID
- 342140
- DTXSID
DTXSID70321552
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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