2-Amino-5-hydroxynaphthalene-1,7-disulphonic acid

HCID 81024CAS 6535-70-2

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Basic information

Standard SMILES: Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1S(=O)(=O)O
InChIKey: HIVUAOXLSJITPA-UHFFFAOYSA-N
Molecular formula: C10H9NO7S2
Average molar mass: 319.3 g/mol
Monoisotopic mass: 318.98204363

Names & identifiers

Preferred name: 2-Amino-5-hydroxynaphthalene-1,7-disulphonic acid
IUPAC: 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid
English name: 2-Amino-5-hydroxynaphthalene-1,7-disulfonic acid
Molecular formula: C10H9NO7S2
Molecular weight: 319.31

Names & synonyms

2-Amino-5-hydroxynaphthalene-1,7-disulphonic acidEINECS 229-445-02-Amino-5-hydroxy-1,7-naphthalenedisulfonic acidRefChem:464611229-445-02-amino-5-hydroxynaphthalene-1,7-disulfonic acid6535-70-23-Aminonaphthalene-8-Hydroxy-4,6-Disulfonic AcidMFCD034119832-amino-5-hydroxy-naphthalene-1,7-disulfonic acid2-Amino-5-hydroxynaphthalene-1,7-disulfonicacidSCHEMBL713434

Show more names

SULFO J ACID2-amino-5-naphthol-1,7-disulfonic acid3-amino-8-naphthol-4,6-disulfonic acid6-Amino-1-naphthol-3,5-disulfonic acid3-amino-4,6-disulfo-8-hydroxynaphthalene3-Amino-8-hydroxy-4,6-disulfonaphthalene2-Amino-5-naphthol- 1,7-disulphonic acid2-Amino-5-hydroxynaphthalene-1,7-disulfonicaci7-amino-4-hydroxynaphthalene-2,8-disulfonic acid6-amino-1-hydroxy-3,5-naphthalenedisulfonic acid

1,7-Naphthalenedisulfonic acid, 2-amino-5-hydroxy-SCHEMBL1413136SCHEMBL7067393SCHEMBL29415548SCHEMBL29516387DTXSID50983970K9T45FG392AKOS015897474

Database identifiers

CAS: 6535-70-2
PubChem CID: 81024
DTXSID: DTXSID50983970
UNII: K9T45FG392
EC Number: 229-445-0
Nikkaji: J53.389K

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 172 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 561

Physicochemical properties

Boiling point: 603.18 ℃[at · 603.18℃[at 101 325 Pa]
Density: 1.88 · 1.880
vapor pressure: 0 Pa · 0Pa at 25℃
pka: -0.42 · -0.42±0.40(Predicted)
Water Solubility: 35.36 g/L · 35.36g/L at 25℃
InChI: InChI=1S/C10H9NO7S2/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
InChIKey: HIVUAOXLSJITPA-UHFFFAOYSA-N
SMILES: C1(S(O)(=O)=O)=C2C(C(O)=CC(S(O)(=O)=O)=C2)=CC=C1N
LogP: -2.33 at · -2.33 at 25℃
CAS DataBase Reference: 6535 · 6535-70-2(CAS DataBase Reference)
REACH Registrations: Inactive