[3-methyl-2-(methylamino)phenyl]methanol

• ChemBase ID: 75567
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: N(c1c(cccc1C)CO)C
• Canonical SMILES: CNc1c(CO)cccc1C
• InChI: InChI=1S/C9H13NO/c1-7-4-3-5-8(6-11)9(7)10-2/h3-5,10-11H,6H2,1-2H3
• InChIKey: DMEBMZOBBHGZNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-methyl-2-(methylamino)phenyl]methanol
• IUPAC Traditional name: [3-methyl-2-(methylamino)phenyl]methanol
• Synonyms: (3-Methyl-2-(methylamino)phenyl)methanol; [3-Methyl-2-(methylamino)phenyl]methanol; N,2-Dimethyl-6-(hydroxymethyl)aniline 96%

Database IDs

• CAS Number: 941294-10-6
• MDL Number: MFCD09475901
• PubChem SID: 162040485
• PubChem CID: 26369943

CALCULATED PROPERTIES

• Acid pKa: 15.016179
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.185815
• LogD (pH = 7.4): 1.1920159
• Log P: 1.1920955
• Molar Refractivity: 48.1089 cm^3
• Polarizability: 17.532091 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%