4-methoxy-2-methylbutan-2-amine hydrochloride

• ChemBase ID: 285830
• Molecular Formular: C6H16ClNO
• Molecular Mass: 153.65034
• Monoisotopic Mass: 153.09204182
• SMILES: C(N)(CCOC)(C)C.Cl
• Canonical SMILES: COCCC(N)(C)C.Cl
• InChI: InChI=1S/C6H15NO.ClH/c1-6(2,7)4-5-8-3;/h4-5,7H2,1-3H3;1H
• InChIKey: HKZJOMOOPNPOMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-2-methylbutan-2-amine hydrochloride
• IUPAC Traditional name: 4-methoxy-2-methylbutan-2-amine hydrochloride
• Synonyms: 4-methoxy-2-methylbutan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD21602646
• PubChem SID: 180671361
• PubChem CID: 73994768

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.944725
• LogD (pH = 7.4): -2.7226236
• Log P: 0.084677055
• Molar Refractivity: 34.8847 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68 - 70°C
• Hydrophobicity(logP): 0.503

Product Information

• Purity: 95%