28757-47-3 Purity
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Specification
The molecular formula is C16H16N2O3S.
The molecular weight is 316.4 g/mol.
Some synonyms include Ammonium 8-(phenylamino)naphthalene-1-sulfonate and 8-Anilino-1-naphthalenesulfonic acid ammonium salt.
The IUPAC name is azanium; 8-anilinonaphthalene-1-sulfonate.
The InChIKey is IPBNQYLKHUNLQE-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)[O-].[NH4+].
The CAS number is 28836-03-5.
2 hydrogen bond donor counts.
The topological polar surface area is 78.6 Ų.
2 rotatable bond counts.
Reference: [1]Hornback, Joseph M.; Gossage, Henry E.
[Journal of Organic Chemistry, 1985, vol. 50, # 4, p. 541 - 543]
[2]Hornback, Joseph M.; Gossage, Henry E.
[Journal of Organic Chemistry, 1985, vol. 50, # 4, p. 541 - 543]
* For details of the synthesis route, please refer to the original source to ensure accuracy.