2-methyl-3-(methylamino)propan-1-ol

• ChemBase ID: 282841
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: N(CC(CO)C)C
• Canonical SMILES: CC(CO)CNC
• InChI: InChI=1S/C5H13NO/c1-5(4-7)3-6-2/h5-7H,3-4H2,1-2H3
• InChIKey: QIMXXSHKYGRQBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-(methylamino)propan-1-ol
• IUPAC Traditional name: 2-methyl-3-(methylamino)propan-1-ol
• Synonyms: 2-methyl-3-(methylamino)propan-1-ol

Database IDs

• MDL Number: MFCD13249132
• PubChem SID: 180668372
• PubChem CID: 23264324

CALCULATED PROPERTIES

• Acid pKa: 15.440769
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.568778
• LogD (pH = 7.4): -2.9672484
• Log P: -0.3436972
• Molar Refractivity: 30.2675 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.29

Product Information

• Purity: 95%