2-methyl-1-[(propan-2-yl)amino]propan-2-ol

• ChemBase ID: 238569
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: N(CC(O)(C)C)C(C)C
• Canonical SMILES: CC(NCC(O)(C)C)C
• InChI: InChI=1S/C7H17NO/c1-6(2)8-5-7(3,4)9/h6,8-9H,5H2,1-4H3
• InChIKey: SYZDMLOUOSPLHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-[(propan-2-yl)amino]propan-2-ol
• IUPAC Traditional name: 1-(isopropylamino)-2-methylpropan-2-ol
• Synonyms: 2-methyl-1-(propan-2-ylamino)propan-2-ol

Database IDs

• MDL Number: MFCD00086567
• PubChem SID: 164294479
• PubChem CID: 97503

CALCULATED PROPERTIES

• Acid pKa: 15.031319
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.640591
• LogD (pH = 7.4): -2.1011624
• Log P: 0.5875542
• Molar Refractivity: 39.2101 cm^3
• Polarizability: 15.770842 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.555

Product Information

• Purity: 95%