1,3-dimethoxypropan-2-amine

• ChemBase ID: 294171
• Molecular Formular: C5H13NO2
• Molecular Mass: 119.16222
• Monoisotopic Mass: 119.09462866
• SMILES: NC(COC)COC
• Canonical SMILES: COCC(COC)N
• InChI: InChI=1S/C5H13NO2/c1-7-3-5(6)4-8-2/h5H,3-4,6H2,1-2H3
• InChIKey: DSZCUJHVOLGWBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 78531-29-0
• PubChem SID: 180679702
• PubChem CID: 1514160

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5686805
• LogD (pH = 7.4): -2.2670426
• 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

Product Information

• Purity: 95+%