2-(dimethylamino)benzaldehyde

• ChemBase ID: 76547
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: O=Cc1c(cccc1)N(C)C
• Canonical SMILES: O=Cc1ccccc1N(C)C
• InChI: InChI=1S/C9H11NO/c1-10(2)9-6-4-3-5-8(9)7-11/h3-7H,1-2H3
• InChIKey: DGPBVJWCIDNDPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)benzaldehyde
• IUPAC Traditional name: 2-(dimethylamino)benzaldehyde
• Synonyms: 2-(Dimethylamino)benzaldehyde

Database IDs

• MDL Number: MFCD03407377
• PubChem SID: 162041451
• PubChem CID: 34289

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7931862
• LogD (pH = 7.4): 1.7937844
• Log P: 1.793792
• Molar Refractivity: 47.0706 cm^3
• Polarizability: 17.046589 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.014

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%