2,3-dimethoxypropan-1-amine hydrochloride

• ChemBase ID: 248920
• Molecular Formular: C5H14ClNO2
• Molecular Mass: 155.62316
• Monoisotopic Mass: 155.07130637
• SMILES: C(OC)(CN)COC.Cl
• Canonical SMILES: COCC(CN)OC.Cl
• InChI: InChI=1S/C5H13NO2.ClH/c1-7-4-5(3-6)8-2;/h5H,3-4,6H2,1-2H3;1H
• InChIKey: CHKTYWCZLZCJTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethoxypropan-1-amine hydrochloride
• IUPAC Traditional name: 2,3-dimethoxypropan-1-amine hydrochloride
• Synonyms: 2,3-dimethoxypropan-1-amine hydrochloride

Database IDs

• PubChem SID: 164304830
• PubChem CID: 71758616

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6389558
• LogD (pH = 7.4): -2.6367385
• Log P: -0.6596428
• Molar Refractivity: 31.676 cm^3
• Polarizability: 12.860454 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.748

Product Information

• Purity: 95%