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Basic information
- CAS
162127-93-7- Standard SMILES
CCN(c1ccccc1)c1nc(Cl)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccccc4S(=O)(=O)O)c(O)c23)n1- InChIKey
KTCBIBVSRIRNAG-UHFFFAOYSA-N- Molecular formula
- C27H22ClN7O10S3
- Average molar mass
- 736.2 g/mol
- Monoisotopic mass
- 735.0278811
Names & identifiers
- Preferred name
- Cibacron Red H-D
- IUPAC
- 5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
Cibacron Red H-DSCHEMBL8628445SCHEMBL8628450DTXSID60868188KTCBIBVSRIRNAG-UHFFFAOYSA-N162127-93-75-({4-Chloro-6-[ethyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
Database identifiers
- CAS
162127-93-7- PubChem CID
- 166334
- DTXSID
DTXSID60868188
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 287 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 10
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,450
Related reactions
0 records
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Compound notes
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