6-(dimethylamino)naphthalene-2-carbaldehyde

• ChemBase ID: 286961
• Molecular Formular: C13H13NO
• Molecular Mass: 199.24842
• Monoisotopic Mass: 199.09971404
• SMILES: O=Cc1ccc2cc(N(C)C)ccc2c1
• Canonical SMILES: O=Cc1ccc2c(c1)ccc(c2)N(C)C
• InChI: InChI=1S/C13H13NO/c1-14(2)13-6-5-11-7-10(9-15)3-4-12(11)8-13/h3-9H,1-2H3
• InChIKey: IVFSOOIWIYPDLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(dimethylamino)naphthalene-2-carbaldehyde
• IUPAC Traditional name: 6-(dimethylamino)-2-naphthoyl
• Synonyms: 6-(Dimethylamino)-2-naphthaldehyde

Database IDs

• CAS Number: 173471-71-1
• PubChem SID: 180672492
• PubChem CID: 25195386

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.673159
• LogD (pH = 7.4): 2.7816935
• Log P: 2.7832687
• Molar Refractivity: 63.5208 cm^3
• Polarizability: 24.618532 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%