2-amino-3-methoxypropan-1-ol

• ChemBase ID: 811845
• Molecular Formular: C4H11NO2
• Molecular Mass: 105.13564
• Monoisotopic Mass: 105.0789786
• SMILES: C(C(COC)N)O
• Canonical SMILES: COCC(CO)N
• InChI: InChI=1S/C4H11NO2/c1-7-3-4(5)2-6/h4,6H,2-3,5H2,1H3
• InChIKey: KRWNDTAVKGMNDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-methoxypropan-1-ol
• IUPAC Traditional name: 2-amino-3-methoxypropan-1-ol
• Synonyms: 2-AMINO-3-METHOXY-PROPAN-1-OL

Database IDs

• CAS Number: 253443-56-0

CALCULATED PROPERTIES

• Acid pKa: 15.053426
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.236235
• LogD (pH = 7.4): -3.011406
• 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

PROPERTIES

Product Information

• Purity: 98%