Basic information
- CAS
494-44-0- Standard SMILES
Nc1ccc2ccc(S(=O)(=O)O)cc2c1- InChIKey
OKAUOXITMZTUOJ-UHFFFAOYSA-N- Molecular formula
- C10H9NO3S
- Average molar mass
- 223.25 g/mol
- Monoisotopic mass
- 223.03031432
Names & identifiers
- Preferred name
- 7-Aminonaphthalene-2-sulphonic acid
- IUPAC
- 7-aminonaphthalene-2-sulfonic acid
- English name
- 2-Aminonaphthalene-7-sulfonic acid
- Molecular formula
- C10H9NO3S
- Molecular weight
- 223.25
Names & synonyms
7-aminonaphthalene-2-sulfonic acidAmino-F acid494-44-07-Aminonaphthalene-2-sulphonic acidCassella's acid F7-Amino-2-naphthalenesulfonic acid2-naphthylamine-7-sulfonic acid96SWF64YC22-Naphthalenesulfonic acid, 7-amino-UNII-96SWF64YC2Delta acidF-Saure
Show more names
2-Amino-7-naphthalenesulfonic acid7-azanylnaphthalene-2-sulfonic acid
EINECS 207-789-2UNII-87ZH3XZE9HSCHEMBL343142SCHEMBL343143SCHEMBL86549627-SULFO-2-NAPHTHYLAMINECASSELLA'S ACID F [MI]DTXSID30964227
Database identifiers
- CAS
494-44-0、5412-82-8- PubChem CID
- 68124
- DTXSID
DTXSID30964227- UNII
- 96SWF64YC2
- EC Number
- 207-789-2
- Nikkaji
- J6.076C
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Density
- 1.3588 · 1.3588 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- pka
- -0.16 · -0.16±0.40(Predicted)
- Water Solubility
- 0.2 g/L · 0.2g/L(20 ºC)
- FDA UNII
- 96 SWF64YC2 · 96SWF64YC2
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
6 records
Compound notes
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