5-(dimethylamino)naphthalene-1-sulfonohydrazide

• ChemBase ID: 102390
• Molecular Formular: C12H15N3O2S
• Molecular Mass: 265.3314
• Monoisotopic Mass: 265.08849774
• SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)NN
• Canonical SMILES: NNS(=O)(=O)c1cccc2c1cccc2N(C)C
• InChI: InChI=1S/C12H15N3O2S/c1-15(2)11-7-3-6-10-9(11)5-4-8-12(10)18(16,17)14-13/h3-8,14H,13H2,1-2H3
• InChIKey: KPQYDVAFRDWIBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(dimethylamino)naphthalene-1-sulfonohydrazide
• IUPAC Traditional name: 5-(dimethylamino)naphthalene-1-sulfonohydrazide
• Synonyms: 5-Dimethylaminonaphthalene-1-sulfonohydrazide; 5-(Dimethylamino)-1-naphthalenesulfonic hydrazide; DANSYL HYDRAZINE; 5-(Dimethylamino)naphthalene-1-sulfono-hydra-zide; Dansylhydrazine; 5-(二甲基氨基)萘-1-磺酰肼; 丹磺酰肼

Database IDs

• CAS Number: 33008-06-9
• EC Number: 251-337-7
• MDL Number: MFCD00003986
• Beilstein Number: 2868662
• PubChem SID: 24882742; 162088428; 24894145
• PubChem CID: 94442

CALCULATED PROPERTIES

• Acid pKa: 9.756425
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.3269682
• LogD (pH = 7.4): 1.3928956
• Log P: 1.3803215
• Molar Refractivity: 73.5788 cm^3
• Polarizability: 29.35278 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126-130 °C(lit.)

Safety Information

• Storage Condition: 0°C, Desiccate
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• 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: -20°C

Product Information

• Purity: ≥90%; 98%
• Linear Formula: (CH3)2NC10H6SO2NHNH2

DETAILS

MP Biomedicals - 02101474

Crystalline
Fluorometric reagent for carbonyl compounds.

Sigma Aldrich - 635928

Packaging
500 mg in glass bottle

REFERENCES

• Chayen, R., et al., Anal. Biochem. , 42 : 283 (1971).
• Kawasaki, T., et al., J. Chromatogr. , 272 : 261 (1983).