1-amino-2-methylpropan-2-ol

• ChemBase ID: 24777
• Molecular Formular: C4H11NO
• Molecular Mass: 89.13624
• Monoisotopic Mass: 89.08406398
• SMILES: C(O)(CN)(C)C
• Canonical SMILES: NCC(O)(C)C
• InChI: InChI=1S/C4H11NO/c1-4(2,6)3-5/h6H,3,5H2,1-2H3
• InChIKey: LXQMHOKEXZETKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-2-methylpropan-2-ol
• IUPAC Traditional name: 1-amino-2-methylpropan-2-ol
• Synonyms: 1-Amino-2-methylpropan-2-ol; 1-AMino-2-Methyl-propan-2-ol

Database IDs

• CAS Number: 2854-16-2
• MDL Number: MFCD01697283
• PubChem SID: 160988084
• PubChem CID: 95102

CALCULATED PROPERTIES

• Acid pKa: 15.039341
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.620115
• LogD (pH = 7.4): -2.8110626
• Log P: -0.61840916
• Molar Refractivity: 25.2681 cm^3
• Polarizability: 10.242338 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.587

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%