3-amino-2-methoxypropan-1-ol hydrochloride

• ChemBase ID: 241708
• Molecular Formular: C4H12ClNO2
• Molecular Mass: 141.59658
• Monoisotopic Mass: 141.05565631
• SMILES: C(OC)(CN)CO.Cl
• Canonical SMILES: COC(CO)CN.Cl
• InChI: InChI=1S/C4H11NO2.ClH/c1-7-4(2-5)3-6;/h4,6H,2-3,5H2,1H3;1H
• InChIKey: VQEFEBVDYADFRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22565901
• PubChem SID: 164297618
• PubChem CID: 71756845

CALCULATED PROPERTIES

• Acid pKa: 14.63799
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.234502
• LogD (pH = 7.4): -3.0035586
• 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

Physical Property

• Hydrophobicity(logP): -0.675

Product Information

• Purity: 95%