1-[(1-amino-2-methylpropan-2-yl)oxy]-2-methoxyethane hydrobromide

• ChemBase ID: 278014
• Molecular Formular: C7H18BrNO2
• Molecular Mass: 228.12732
• Monoisotopic Mass: 227.05209082
• SMILES: C(OCCOC)(CN)(C)C.Br
• Canonical SMILES: NCC(OCCOC)(C)C.Br
• InChI: InChI=1S/C7H17NO2.BrH/c1-7(2,6-8)10-5-4-9-3;/h4-6,8H2,1-3H3;1H
• InChIKey: DMSLWPLTDVUDJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-amino-2-methylpropan-2-yl)oxy]-2-methoxyethane hydrobromide
• IUPAC Traditional name: 1-[(1-amino-2-methylpropan-2-yl)oxy]-2-methoxyethane hydrobromide
• Synonyms: 1-[(1-amino-2-methylpropan-2-yl)oxy]-2-methoxyethane hydrobromide

Database IDs

• MDL Number: MFCD19982479
• PubChem SID: 164333924
• PubChem CID: 54594806

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0154455
• LogD (pH = 7.4): -2.1210659
• Log P: -0.022258189
• Molar Refractivity: 41.0628 cm^3
• Polarizability: 16.534874 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.04

Product Information

• Purity: 95%