2-(4-aminophenyl)-2-methylpropan-1-ol

• ChemBase ID: 68288
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: C(C(C)(C)c1ccc(cc1)N)O
• Canonical SMILES: OCC(c1ccc(cc1)N)(C)C
• InChI: InChI=1S/C10H15NO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6,12H,7,11H2,1-2H3
• InChIKey: YXZLVWUOAINLAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminophenyl)-2-methylpropan-1-ol
• IUPAC Traditional name: 2-(4-aminophenyl)-2-methylpropan-1-ol
• Synonyms: 2-(4-Aminophenyl)-2-methylpropan-1-ol

Database IDs

• CAS Number: 18755-56-1
• MDL Number: MFCD13193380
• PubChem SID: 162034020
• PubChem CID: 21904728

CALCULATED PROPERTIES

• Acid pKa: 15.094472
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3612127
• LogD (pH = 7.4): 1.4079746
• Log P: 1.408605
• Molar Refractivity: 51.199 cm^3
• Polarizability: 19.378721 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%