1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid
Basic information
- CAS
128-99-4- Standard SMILES
Nc1cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)ccc1S(=O)(=O)O- InChIKey
ZOHPJXCEVYGLJT-UHFFFAOYSA-N- Molecular formula
- C20H15N3O8S2
- Average molar mass
- 489.5 g/mol
- Monoisotopic mass
- 489.03005679
Names & identifiers
- Preferred name
- 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid
- IUPAC
- 1-amino-4-(3-amino-4-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid
- English name
- 1-amino-4-(3-amino-4-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
- Molecular formula
- C20H15N3O8S2
- Molecular weight
- 489.4784
Names & synonyms
2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-4-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-EINECS 204-926-8664OYN0ZL91-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acidDTXSID40595941-Amino-4-(3-amino-4-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid2-Anthracenesulfonic acid, 1-amino-4-((3-amino-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-RefChem:429329DTXCID0033918128-99-41-amino-4-(3-amino-4-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acidUNII-664OYN0ZL9
Show more names
1-Amino-4-(3-amino-4-sulfoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid1-amino-4-[(3-amino-4-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-2-Anthracenesulfonic acid
ZOHPJXCEVYGLJT-UHFFFAOYSA-NSCHEMBL4650171SCHEMBL7591887CHEMBL1208280NS00024067Q272639531-Amino-4-(3-amino-4-sulfoanilino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Database identifiers
- CAS
128-99-4- PubChem CID
- 67204
- DTXSID
DTXSID4059594- ChEMBL
CHEMBL1208280- UNII
- 664OYN0ZL9
- EC Number
- 204-926-8
- Nikkaji
- J33.359J
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- FDA UNII
- 664 OYN0ZL9 · 664OYN0ZL9
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-4-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo- (128-99-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-4-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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