1-(methylamino)propan-2-ol

• ChemBase ID: 57555
• Molecular Formular: C4H11NO
• Molecular Mass: 89.13624
• Monoisotopic Mass: 89.08406398
• SMILES: C(CNC)(C)O
• Canonical SMILES: CNCC(O)C
• InChI: InChI=1S/C4H11NO/c1-4(6)3-5-2/h4-6H,3H2,1-2H3
• InChIKey: AEKHFLDILSDXBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methylamino)propan-2-ol
• IUPAC Traditional name: 1-(methylamino)propan-2-ol
• Synonyms: 1-(methylamino)-2-propanol; 1-(Methylamino)propan-2-ol

Database IDs

• CAS Number: 16667-45-1
• MDL Number: MFCD00089199
• PubChem SID: 162062318
• PubChem CID: 86049

CALCULATED PROPERTIES

• Acid pKa: 15.29722
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6809645
• LogD (pH = 7.4): -2.918146
• Log P: -0.46640545
• Molar Refractivity: 25.4045 cm^3
• Polarizability: 10.242338 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.682

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%