1-amino-3-methoxypropan-2-ol

• ChemBase ID: 274990
• Molecular Formular: C4H11NO2
• Molecular Mass: 105.13564
• Monoisotopic Mass: 105.0789786
• SMILES: C(O)(CN)COC
• Canonical SMILES: COCC(CN)O
• InChI: InChI=1S/C4H11NO2/c1-7-3-4(6)2-5/h4,6H,2-3,5H2,1H3
• InChIKey: IDSWHVZEQHESIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-3-methoxypropan-2-ol
• IUPAC Traditional name: 1-amino-3-methoxypropan-2-ol
• Synonyms: 1-amino-3-methoxypropan-2-ol

Database IDs

• CAS Number: 93372-65-7
• MDL Number: MFCD00462795
• PubChem SID: 164330900
• PubChem CID: 124510

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.293375
• LogD (pH = 7.4): -3.3764653
• Log P: -1.3027693
• Molar Refractivity: 26.9248 cm^3
• Polarizability: 10.957657 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 14.115894

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.358

Product Information

• Purity: 95%