(2-methoxyethyl)(1-methoxypropan-2-yl)amine

• ChemBase ID: 261642
• Molecular Formular: C7H17NO2
• Molecular Mass: 147.21538
• Monoisotopic Mass: 147.12592879
• SMILES: N(C(COC)C)CCOC
• Canonical SMILES: COCCNC(COC)C
• InChI: InChI=1S/C7H17NO2/c1-7(6-10-3)8-4-5-9-2/h7-8H,4-6H2,1-3H3
• InChIKey: BWIQDBIDABMYHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(1-methoxypropan-2-yl)amine
• IUPAC Traditional name: (2-methoxyethyl)(1-methoxypropan-2-yl)amine
• Synonyms: (2-methoxyethyl)(1-methoxypropan-2-yl)amine

Database IDs

• MDL Number: MFCD11151272
• PubChem SID: 164317552
• PubChem CID: 43199128

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9746175
• LogD (pH = 7.4): -1.6331764
• Log P: 0.12974554
• Molar Refractivity: 41.1992 cm^3
• Polarizability: 16.534874 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.371

Product Information

• Purity: 95%