C.I. Direct Blue 22, disodium salt
Basic information
- CAS
25180-26-1- Standard SMILES
COc1cc(-c2ccc(N=Nc3c(O)ccc4ccccc34)c(OC)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O- InChIKey
NPKFSFQEYLFRPM-UHFFFAOYSA-N- Molecular formula
- C34H27N5O10S2
- Average molar mass
- 729.7 g/mol
- Monoisotopic mass
- 729.11993442
Names & identifiers
- Preferred name
- C.I. Direct Blue 22, disodium salt
- IUPAC
- 4-amino-5-hydroxy-6-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid
Names & synonyms
Chlorazol Blue RW4-Amino-5-hydroxy-6-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acidC.I. Direct Blue 22, disodium saltC.I. 242801, 4-amino-5-hydroxy-6-[[4'-[(2-hydroxy-1-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, disodium saltDTXSID90862992NPKFSFQEYLFRPM-UHFFFAOYSA-NNSC16970NSC47753NSC-16970NSC-4775325180-26-1
Show more names
4-Amino-5-hydroxy-6-({4'-[(2-hydroxynaphthalen-1-yl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl}diazenyl)naphthalene-1,3-disulfonic acid
Database identifiers
- CAS
25180-26-1、2586-57-4- PubChem CID
- 408904
- DTXSID
DTXSID90862992- EC Number
- 607-590-4
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 260 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,460
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…