1-[6-(dimethylamino)naphthalen-2-yl]dodecan-1-one

• ChemBase ID: 155876
• Molecular Formular: C24H35NO
• Molecular Mass: 353.5408
• Monoisotopic Mass: 353.27186475
• SMILES: CCCCCCCCCCCC(=O)c1ccc2cc(ccc2c1)N(C)C
• Canonical SMILES: CCCCCCCCCCCC(=O)c1ccc2c(c1)ccc(c2)N(C)C
• InChI: InChI=1S/C24H35NO/c1-4-5-6-7-8-9-10-11-12-13-24(26)22-15-14-21-19-23(25(2)3)17-16-20(21)18-22/h14-19H,4-13H2,1-3H3
• InChIKey: JHDGGIDITFLRJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-(dimethylamino)naphthalen-2-yl]dodecan-1-one
• IUPAC Traditional name: 1-[6-(dimethylamino)naphthalen-2-yl]dodecan-1-one
• Synonyms: 2-(Dimethylamino)-6-dodecanoylnaphthalene; Laurdan; N,N-Dimethyl-6-dodecanoyl-2-naphthylamine; 6-Dodecanoyl-N,N-dimethyl-2-naphthylamine

Database IDs

• CAS Number: 74515-25-6
• MDL Number: MFCD00467560
• Beilstein Number: 7379104
• PubChem SID: 162250014; 24865069
• PubChem CID: 104983

CALCULATED PROPERTIES

• Acid pKa: 17.080442
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.220724
• LogD (pH = 7.4): 7.328505
• Log P: 7.3300676
• Molar Refractivity: 113.3755 cm^3
• Polarizability: 44.934975 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: acetonitrile: soluble; DMF: soluble; methanol: soluble
• Melting Point: 88 °C(lit.)
• Fluorescence: λex 366 nm; λem 497 nm in methanol

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (HPLC)
• Suitability: suitable for fluorescence
• Empirical Formula (Hill Notation): C24H35NO

DETAILS

Sigma Aldrich - 40227

Frequently Asked Questions
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Other Notes
Fluorescent membrane probe1,2