4-[methyl(phenyl)amino]butan-1-ol

• ChemBase ID: 307906
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: N(c1ccccc1)(CCCCO)C
• Canonical SMILES: OCCCCN(c1ccccc1)C
• InChI: InChI=1S/C11H17NO/c1-12(9-5-6-10-13)11-7-3-2-4-8-11/h2-4,7-8,13H,5-6,9-10H2,1H3
• InChIKey: KSIAUYAABCITOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[methyl(phenyl)amino]butan-1-ol
• IUPAC Traditional name: 4-[methyl(phenyl)amino]butan-1-ol
• Synonyms: 4-[methyl(phenyl)amino]butan-1-ol

Database IDs

• CAS Number: 169556-13-2
• MDL Number: MFCD08691726

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6422856
• LogD (pH = 7.4): 1.9624265
• Log P: 1.96851
• Molar Refractivity: 56.2889 cm^3
• Polarizability: 21.306501 Å^3
• Polar Surface Area: 23.47 Å^2