2,2-dimethoxypropan-1-amine

• ChemBase ID: 802553
• Molecular Formular: C5H13NO2
• Molecular Mass: 119.16222
• Monoisotopic Mass: 119.09462866
• SMILES: C(C(C)(OC)OC)N
• Canonical SMILES: NCC(OC)(OC)C
• InChI: InChI=1S/C5H13NO2/c1-5(4-6,7-2)8-3/h4,6H2,1-3H3
• InChIKey: CJZOSFDKUBPWHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethoxypropan-1-amine
• IUPAC Traditional name: 2,2-dimethoxypropan-1-amine
• Synonyms: 2,2-DIMETHOXYPROPAN-1-AMINE

Database IDs

• CAS Number: 131713-50-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.985249
• LogD (pH = 7.4): -1.5371386
• Log P: -0.14546908
• Molar Refractivity: 31.7652 cm^3
• Polarizability: 12.860454 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%