Basic information
- CAS
18791-01-0- Standard SMILES
Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1- InChIKey
TUYZCJKTGCNVOA-UHFFFAOYSA-N- Molecular formula
- C20H15N3O8S2
- Average molar mass
- 489.5 g/mol
- Monoisotopic mass
- 489.03005679
Names & identifiers
- Preferred name
- 1-Amino-4-(4-amino-2-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
- IUPAC
- 1-amino-4-(4-amino-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid
- English name
- 1-amino-4-(4-amino-2-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
- Molecular formula
- C20H15N3O8S2
- Molecular weight
- 489.4784
Names & synonyms
18791-01-01-Amino-4-(4-amino-2-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acidEINECS 242-574-7DTXSID00172115RefChem:429332DTXCID5094606242-574-71-amino-4-(4-amino-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acidTUYZCJKTGCNVOA-UHFFFAOYSA-NSCHEMBL1592210CHEMBL1208117NS00026150
Show more names
1-Amino-4-[(4-amino-2-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
1-Amino-4-(4-amino-2-sulfoanilino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Database identifiers
- CAS
18791-01-0- PubChem CID
- 87791
- DTXSID
DTXSID00172115- ChEMBL
CHEMBL1208117- EC Number
- 242-574-7
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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