2-(methylamino)propan-1-ol

• ChemBase ID: 59167
• Molecular Formular: C4H11NO
• Molecular Mass: 89.13624
• Monoisotopic Mass: 89.08406398
• SMILES: N(C(CO)C)C
• Canonical SMILES: CC(NC)CO
• InChI: InChI=1S/C4H11NO/c1-4(3-6)5-2/h4-6H,3H2,1-2H3
• InChIKey: PXWASTUQOKUFKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 27646-78-2
• MDL Number: MFCD10686605
• PubChem SID: 162063930
• PubChem CID: 12695785

CALCULATED PROPERTIES

• Acid pKa: 15.129978
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6790586
• LogD (pH = 7.4): -2.892859
• 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%