1-amino-4-methoxy-2-methylbutan-2-ol

• ChemBase ID: 273197
• Molecular Formular: C6H15NO2
• Molecular Mass: 133.1888
• Monoisotopic Mass: 133.11027873
• SMILES: C(CCOC)(O)(CN)C
• Canonical SMILES: CC(CN)(CCOC)O
• InChI: InChI=1S/C6H15NO2/c1-6(8,5-7)3-4-9-2/h8H,3-5,7H2,1-2H3
• InChIKey: BSKRKNUPHYNKRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-4-methoxy-2-methylbutan-2-ol
• IUPAC Traditional name: 1-amino-4-methoxy-2-methylbutan-2-ol
• Synonyms: 1-amino-4-methoxy-2-methylbutan-2-ol

Database IDs

• MDL Number: MFCD16127787
• PubChem SID: 164329107
• PubChem CID: 54592781

CALCULATED PROPERTIES

• Acid pKa: 14.631218
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9631503
• LogD (pH = 7.4): -3.1453676
• Log P: -0.9622329
• Molar Refractivity: 36.4284 cm^3
• Polarizability: 14.625383 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.637

Product Information

• Purity: 95%