Basic information
- Standard SMILES
Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12.[Na+].[Na+].[Na+]- InChIKey
VSPFLROIRRUCBX-UHFFFAOYSA-K- Molecular formula
- C10H6NNa3O9S3
- Average molar mass
- 449.3 g/mol
- Monoisotopic mass
- 448.88977661
Names & identifiers
- Preferred name
- 1,3,6-Naphthalenetrisulfonic acid, 8-amino-, sodium salt (1:?)
- IUPAC
- trisodium;8-aminonaphthalene-1,3,6-trisulfonate
- English name
- 8-Amino-1,3,6-naphthalenetrisulfonic acid sodium salt
- Molecular formula
- C10H9NO9S3.xNa
- Molecular weight
- 0
Names & synonyms
1,3,6-Naphthalenetrisulfonic acid, 8-amino-, sodium salt79873-38-41,3,6-Naphthalenetrisulfonic acid, 8-amino-, sodium salt (1:?)RefChem:412771DTXSID20105107901-79-1Trisodium 8-aminonaphthalene-1,3,6-trisulphonateCHEMBL1744154trisodium 8-aminonaphthalene-1,3,6-trisulfonateEINECS 212-987-7SCHEMBL2730685DTXSID50238033
Show more names
1,3,6-Naphthalenetrisulfonic acid, 8-amino-, sodium salt (1:)
NS000795358-aminonaphthalene-1,3,6-trisulfonic acid sodium salt8-amino-1,3,6-naphthalenetrisulfonic acid trisodium salt
Database identifiers
- CAS
79873-38-4、901-79-1- PubChem CID
- 101899
- DTXSID
DTXSID50238033- ChEMBL
CHEMBL1744154- EC Number
- 212-987-7
- Nikkaji
- J195.197A
Properties
Computed structural properties
- Topological polar surface area
- 223 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 716
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3,6-Naphthalenetrisulfonic acid, 8-amino-, sodium salt (79873-38-4)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3,6-Naphthalenetrisulfonic acid, 8-amino-, sodium salt (1:?): INACTIVE
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
11 records
Linked notes
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