5-(dimethylamino)-N-[2-(trimethylazaniumyl)ethyl]naphthalene-1-sulfonamide perchlorate

• ChemBase ID: 102890
• Molecular Formular: C17H26ClN3O6S
• Molecular Mass: 435.92284
• Monoisotopic Mass: 435.12308425
• SMILES: CN(C)c1cccc2c1cccc2S(=O)(=O)NCC[N+](C)(C)C.[O-][Cl](=O)(=O)=O
• Canonical SMILES: [O-][Cl](=O)(=O)=O.CN(c1cccc2c1cccc2S(=O)(=O)NCC[N+](C)(C)C)C
• InChI: InChI=1S/C17H26N3O2S.ClHO4/c1-19(2)16-10-6-9-15-14(16)8-7-11-17(15)23(21,22)18-12-13-20(3,4)5;2-1(3,4)5/h6-11,18H,12-13H2,1-5H3;(H,2,3,4,5)/q+1;/p-1
• InChIKey: JALGRPFYCOBGHM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(dimethylamino)-N-[2-(trimethylazaniumyl)ethyl]naphthalene-1-sulfonamide perchlorate
• IUPAC Traditional name: 5-(dimethylamino)-N-[2-(trimethylaminio)ethyl]naphthalene-1-sulfonamide perchlorate ion; 5-(dimethylamino)-N-[2-(trimethylammonio)ethyl]naphthalene-1-sulfonamide perchlorate
• Synonyms: (Dansylaminoethyl)-tri-methyl-ammonium perchlorate; (1-DIMETHYLAMINONAPHTHALENE-5-SULFONAMIDOETHYL)-TRIMETHYLAMMONIUM PERCHLORATE; DASP; (Dansylaminoethyl)-tri-methyl-ammonium perchlorate; (5-二甲基氨基萘-1-磺酰胺基乙基)三甲基高氯酸铵; (丹磺酰氨乙基)三甲基高氯酸铵

Database IDs

• CAS Number: 33423-98-2
• MDL Number: MFCD00038732
• PubChem SID: 162088302
• PubChem CID: 193695

CALCULATED PROPERTIES

• Acid pKa: 9.893623
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2954178
• LogD (pH = 7.4): -2.0807776
• Log P: -2.243219
• Molar Refractivity: 107.9241 cm^3
• Polarizability: 38.606777 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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

DETAILS

MP Biomedicals - 02104997

Crystalline
Fluorescent probe for receptor proteolipid from the electric organ of Electrophorus electricus.

Sigma Aldrich - D2762

Application
荧光探针，用于电鳗发电器官中的受体蛋白脂质。

• Used as a guest for multivalent macrocyclic hosts in histone surface recognition1
• Dye for fluorescence spectroscopy2

REFERENCES

• Mol. Pharmacol., 7: 530 (1971).