4-amino-2,6-dimethylbenzaldehyde

• ChemBase ID: 242472
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: c1(c(cc(cc1C)N)C)C=O
• Canonical SMILES: O=Cc1c(C)cc(cc1C)N
• InChI: InChI=1S/C9H11NO/c1-6-3-8(10)4-7(2)9(6)5-11/h3-5H,10H2,1-2H3
• InChIKey: RYOVQGPPVBEYFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-2,6-dimethylbenzaldehyde
• IUPAC Traditional name: 4-amino-2,6-dimethylbenzaldehyde
• Synonyms: 4-amino-2,6-dimethylbenzaldehyde

Database IDs

• MDL Number: MFCD18824455
• PubChem SID: 164298382
• PubChem CID: 12381235

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.879173
• LogD (pH = 7.4): 1.8836081
• Log P: 1.883665
• Molar Refractivity: 47.4248 cm^3
• Polarizability: 16.891294 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.846

Product Information

• Purity: 95%