7-[[4,6-Bis[(2-aminopropyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-methoxyphenyl)diazenyl]-2-naphthalenesulfonic acid
Basic information
- CAS
108225-02-1- Standard SMILES
COc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(Nc3nc(NCC(C)N)nc(NCC(C)N)n3)ccc2c1O- InChIKey
FVGKWSMKVQBPFC-UHFFFAOYSA-N- Molecular formula
- C26H32N10O5S
- Average molar mass
- 596.7 g/mol
- Monoisotopic mass
- 596.22778533
Names & identifiers
- Preferred name
- 7-[[4,6-Bis[(2-aminopropyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-methoxyphenyl)diazenyl]-2-naphthalenesulfonic acid
- IUPAC
- 7-[[4,6-bis(2-aminopropylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid
Names & synonyms
FVGKWSMKVQBPFC-UHFFFAOYSA-NDTXSID701361961108225-02-17-[[4,6-Bis[(2-aminopropyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-methoxyphenyl)diazenyl]-2-naphthalenesulfonic acid
Database identifiers
- CAS
108225-02-1- PubChem CID
- 136705102
- DTXSID
DTXSID701361961- Nikkaji
- J324.242K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 244 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 954
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…