2-[(1-aminonaphthalen-2-yl)disulfanyl]naphthalen-1-amine

• ChemBase ID: 137970
• Molecular Formular: C20H16N2S2
• Molecular Mass: 348.48444
• Monoisotopic Mass: 348.07549052
• SMILES: c1ccc2c(c1)ccc(c2N)SSc1ccc2ccccc2c1N
• Canonical SMILES: Nc1c(SSc2ccc3c(c2N)cccc3)ccc2c1cccc2
• InChI: InChI=1S/C20H16N2S2/c21-19-15-7-3-1-5-13(15)9-11-17(19)23-24-18-12-10-14-6-2-4-8-16(14)20(18)22/h1-12H,21-22H2
• InChIKey: LCXOEQDSHXTPFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-aminonaphthalen-2-yl)disulfanyl]naphthalen-1-amine
• IUPAC Traditional name: 2-[(1-aminonaphthalen-2-yl)disulfanyl]naphthalen-1-amine
• Synonyms: 1,1′-Diamino-2,2′-dinaphthyl disulfide; 2,2′-Dithio-bis(1-aminonaphthalene); DTAN; 2,2′-Dithiodi(1-naphthylamine)

Database IDs

• CAS Number: 38262-57-6
• MDL Number: MFCD00010499
• Beilstein Number: 2886977
• PubChem SID: 24867394; 162232229
• PubChem CID: 317663

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.8936205
• LogD (pH = 7.4): 4.894831
• Log P: 4.8948464
• Molar Refractivity: 104.7614 cm^3
• Polarizability: 43.522804 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 132-134 °C(lit.); 133-135 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-38
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (CHN); 97%
• Grade: for fluorescence
• Linear Formula: (-SC10H6NH2)2

DETAILS

Sigma Aldrich - 43775

Other Notes
For the fluorimetric determination of aromatic aldehydes1; For the determination of aldehydes used in the assay procedures for dopamine β-hydroxylase and catechol-O-methyltransferase2
Packaging
10 mg in poly bottle