Basic information
- CAS
19853-95-3- Standard SMILES
NCCNc1ccc(NCCN)c2c1C(=O)c1ccccc1C2=O- InChIKey
XXOFSLDVRYQVSV-UHFFFAOYSA-N- Molecular formula
- C18H20N4O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.15862589
Names & identifiers
- Preferred name
- Bbr 1722
- IUPAC
- 1,4-bis(2-aminoethylamino)anthracene-9,10-dione
Names & synonyms
19853-95-3BBR 1722L8MK3I153T9,10-Anthracenedione, 1,4-bis[(2-aminoethyl)amino]-UNII-L8MK3I153TNSC 281246Anthraquinone, 1,4-bis((2-aminoethyl)amino)-NSC-2812469,10-Anthracenedione, 1,4-bis((2-aminoethyl)amino)-DTXSID201736041,4-Bis[(2-aminoethyl)amino]-9,10-anthracenedione1,4-BIS((2-AMINOETHYL)AMINO)-9,10-ANTHRACENEDIONE
Show more names
RefChem:116764DTXCID2096095Anthraquinone, 1,4-bis((2-aminoethyl)amino)-(8CI)9,10-Anthracenedione, 1,4-bis((2-aminoethyl)amino)-(9CI)1,4-bis[(2-aminoethyl)amino]anthracene-9,10-dione1,4-bis((2-aminoethyl)amino)anthracene-9,10-dione1,4-bis(2-aminoethylamino)anthracene-9,10-dioneSCHEMBL4198607
Database identifiers
- CAS
19853-95-3- PubChem CID
- 100282
- DTXSID
DTXSID20173604- ChEMBL
CHEMBL3248045- UNII
- L8MK3I153T
- Nikkaji
- J421.048D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…