2-(2-aminoethoxy)-1,1-dimethoxyethane

• ChemBase ID: 242523
• Molecular Formular: C6H15NO3
• Molecular Mass: 149.1882
• Monoisotopic Mass: 149.10519335
• SMILES: C(OC)(OC)COCCN
• Canonical SMILES: NCCOCC(OC)OC
• InChI: InChI=1S/C6H15NO3/c1-8-6(9-2)5-10-4-3-7/h6H,3-5,7H2,1-2H3
• InChIKey: CBEGMMFTEUNTQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethoxy)-1,1-dimethoxyethane
• IUPAC Traditional name: 2-(2-aminoethoxy)-1,1-dimethoxyethane
• Synonyms: 2-(2-aminoethoxy)-1,1-dimethoxyethane

Database IDs

• MDL Number: MFCD19215935
• PubChem SID: 164298433
• PubChem CID: 55285959

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.4236033
• LogD (pH = 7.4): -2.4478567
• Log P: -0.44050732
• Molar Refractivity: 37.7869 cm^3
• Polarizability: 15.419163 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.194

Product Information

• Purity: 95%