2-aminonaphthalene-1,5-disulfonic acid

• ChemBase ID: 103013
• Molecular Formular: C10H9NO6S2
• Molecular Mass: 303.31156
• Monoisotopic Mass: 302.98712901
• SMILES: Nc1ccc2c(cccc2S(=O)(=O)O)c1S(=O)(=O)O
• Canonical SMILES: Nc1ccc2c(c1S(=O)(=O)O)cccc2S(=O)(=O)O
• InChI: InChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
• InChIKey: YAIKCRUPEVOINQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminonaphthalene-1,5-disulfonic acid
• IUPAC Traditional name: 2-aminonaphthalene-1,5-disulfonic acid
• Synonyms: Kyselina-2-naftylamin-1,5-disulfonova; 5-Sulfo-tobias acid; 2-Naphthylamine-1,5-disulfonic acid; 2-AMINO-1,5-NAPHTHALENEDISULFONIC ACID PRACTICAL GRADE; 2-Amino-1,5-naphthalenedisulfonic acid; 2-NAPHTHYLAMINE-1,5-DISULFONIC ACID; 2-Amino-1,5-naphthalenedisulfonic acid; 2-amino-1,5-Naphthalenedisulfonic acid

Database IDs

• CAS Number: 117-62-4
• EC Number: 204-201-6
• MDL Number: MFCD00021512
• Beilstein Number: 2888645
• PubChem SID: 162090176; 24886125
• PubChem CID: 8338

CALCULATED PROPERTIES

• Acid pKa: -3.8431506
• H Acceptors: 7
• H Donor: 3
• LogD (pH = 5.5): -4.238783
• LogD (pH = 7.4): -4.256951
• Log P: -1.7355655
• Molar Refractivity: 68.4536 cm^3
• Polarizability: 28.24948 Å^3
• Polar Surface Area: 134.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 300°C

Safety Information

• Storage Condition: 2-8°C; Room Temperature (15-30°C)
• RTECS: QJ6135000
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36; R:34
• Safety Statements: 26; S:26-27/28-36/37/39-46; S:26-27/28-36/37/39-46-64
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Grade: PRACTICAL
• Impurities: ~17% water
• Empirical Formula (Hill Notation): C10H9NO6S2

DETAILS

MP Biomedicals - 02155793

(2-Amino-1,5-naphthalenedisulfonic acid) Sodium Salt Reagent for sequential analysis of non-polar peptides.

MP Biomedicals - 02150355

Practical Grade
Used to increase polarity of nonpolar peptides for automated sequencing.

Sigma Aldrich - 70760

Analysis Note
may contain NaCl
Other Notes
Automated sequential degradation of non-polar peptides1,2

REFERENCES

• Foster, J.A., et al., Biochem. Biophys. Res. Commun., 53: 70 (1973).
• Biochem. Biophys. Res. Commun. , 53 : 70, (1971).