Basic information
- CAS
153444-56-5- Standard SMILES
NCCCNc1ccc(NCCCN)c2c1C(=O)c1ccncc1C2=O.O=C(O)/C=C\C(=O)O- InChIKey
JNMPRNNZFCWPDW-BTJKTKAUSA-N- Molecular formula
- C23H27N5O6
- Average molar mass
- 469.5 g/mol
- Monoisotopic mass
- 469.1961336
Names & identifiers
- Preferred name
- Benz(g)isoquinoline-5,10-dione, 6,9-bis((3-aminopropyl)amino)-, (Z)-2-butenedioate (1:2)
- IUPAC
- 6,9-bis(3-aminopropylamino)benzo[g]isoquinoline-5,10-dione;(Z)-but-2-enedioic acid
Names & synonyms
BBR 2811153444-56-5Benz(g)isoquinoline-5,10-dione, 6,9-bis((3-aminopropyl)amino)-, (Z)-2-butenedioate (1:2)
Database identifiers
- CAS
153444-56-5- PubChem CID
- 44145992
Properties
Computed structural properties
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 619
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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