Basic information
- CAS
73826-31-0- Standard SMILES
N#CCCN(CCC#N)Cc1ccc2c(O)c(CN(CCC#N)CCC#N)ccc2c1O- InChIKey
HDRKOCPBVISWHT-UHFFFAOYSA-N- Molecular formula
- C24H26N6O2
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.21172409
Names & identifiers
- Preferred name
- 3,3',3'',3'''-((1,5-Dihydroxy-2,6-naphthalenediyl)bis(methylenenitrilo))tetrakis-propanenitrile
- IUPAC
- 3-[[6-[[bis(2-cyanoethyl)amino]methyl]-1,5-dihydroxynaphthalen-2-yl]methyl-(2-cyanoethyl)amino]propanenitrile
Names & synonyms
NSC88862NSC 888629ESA52BW25NSC-88862UNII-9ESA52BW25DTXSID202243073,3',3'',3'''-((1,5-Dihydroxy-2,6-naphthylene)bis(methylenenitrilo))tetrapropionitrilePropionitrile, 3,3',3'',3'''-((1,5-dihydroxy-2,6-naphthylene)bis(methylenenitrilo))tetra-3,3',3'',3'''-((1,5-Dihydroxy-2,6-naphthalenediyl)bis(methylenenitrilo))tetrakis-propanenitrileRefChem:198025DTXCID8014679873826-31-0
Show more names
Propanenitrile, 3,3',3'',3'''-((1,5-dihydroxy-2,6-naphthalenediyl)bis(methylenenitrilo))tetrakis-WLN: L66J BQ C1N2CN&2CN GQ H1N2CN&2CN3,3'',3'''-[(1,5-Dihydroxy-2,6-naphthylene)bis(methylenenitrilo)]tetrapropionitrilePropionitrile,3',3'',3'''-[(1,5-dihydroxy-2,6-naphthylene)bis(methylenenitrilo)]tetra-3,3',3'',3'''-[(1,5-Dihydroxynaphthalene-2,6-diyl)bis(methylenenitrilo)]tetrapropanenitrilePropanenitrile,3',3'',3'''-[(1,5-dihydroxy-2,6-naphthalenediyl)bis(methylenenitrilo)]tetrakis-
Database identifiers
- CAS
73826-31-0- PubChem CID
- 96756
- DTXSID
DTXSID20224307- UNII
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 673
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…