Basic information
- CAS
5617-28-7- Standard SMILES
Nc1c(S(=O)(=O)O)cc(NC2CCCCC2)c2c1C(=O)c1ccccc1C2=O- InChIKey
GMBNNHLANOGOAU-UHFFFAOYSA-N- Molecular formula
- C20H20N2O5S
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.10929292
Names & identifiers
- Preferred name
- Acid Blue 62 free acid
- IUPAC
- 1-amino-4-(cyclohexylamino)-9,10-dioxoanthracene-2-sulfonic acid
- English name
- 1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
- Molecular formula
- C20H20N2O5S
- Molecular weight
- 400.45
Names & synonyms
Acid Blue 62 free acid5617-28-72-Anthracenesulfonic acid, 1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-0D8T209T4MEINECS 227-039-8TELON FAST BLUE R2-Anthraquinonesulfonic acid, 1-amino-4-(cyclohexylamino)-CI ACID BLUE 62 PARENT1-AMINO-4-(CYCLOHEXYLAMINO)ANTHRAQUINONE-2-SULFONIC ACID1-AMINO-4-(HEXAHYDROANILINO)ANTHRAQUINONE-2-SULFONIC ACIDRefChem:552564UNII-0D8T209T4M
Show more names
ABu-621-Amino-4-(cyclohexylamino)-2-anthraquinonesulfonic acid1-Amino-4-(cyclohexylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid1-Amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
Acid Blue 62, tech.1-amino-4-(cyclohexylamino)-9,10-dioxoanthracene-2-sulfonic acidC.I. Acid Blue 62 parentSCHEMBL1136817CHEMBL1208508DTXSID4045050SCHEMBL29443441GMBNNHLANOGOAU-UHFFFAOYSA-N
Database identifiers
- CAS
5617-28-7- PubChem CID
- 78075
- DTXSID
DTXSID4045050- ChEMBL
CHEMBL1208508- UNII
- 0D8T209T4M
- EC Number
- 227-039-8
- Nikkaji
- J34.713B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 727
Physicochemical properties
- Density
- 1.504 · 1.504±0.06 g/cm3(Predicted)
- pka
- -1.79 · -1.79±0.20(Predicted)
- FDA UNII
- 0 D8T209T4M · 0D8T209T4M
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo- (5617-28-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2-Anthracenesulfonic acid, 1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenesulfonic acid, 1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-: INACTIVE
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…