3-amino-2-ethoxypropan-1-ol hydrochloride

• ChemBase ID: 241460
• Molecular Formular: C5H14ClNO2
• Molecular Mass: 155.62316
• Monoisotopic Mass: 155.07130637
• SMILES: C(OCC)(CN)CO.Cl
• Canonical SMILES: CCOC(CO)CN.Cl
• InChI: InChI=1S/C5H13NO2.ClH/c1-2-8-5(3-6)4-7;/h5,7H,2-4,6H2,1H3;1H
• InChIKey: RYCSQAXRXPQGQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22421883
• PubChem SID: 164297370
• PubChem CID: 71756794

CALCULATED PROPERTIES

• Acid pKa: 14.637304
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.8776007
• LogD (pH = 7.4): -2.6463323
• Log P: -0.94596136
• Molar Refractivity: 31.6734 cm^3
• Polarizability: 12.789923 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.286

Product Information

• Purity: 95%