2-methoxy-2-methylpropan-1-amine hydrochloride

• ChemBase ID: 283262
• Molecular Formular: C5H14ClNO
• Molecular Mass: 139.62376
• Monoisotopic Mass: 139.07639175
• SMILES: C(OC)(CN)(C)C.Cl
• Canonical SMILES: NCC(OC)(C)C.Cl
• InChI: InChI=1S/C5H13NO.ClH/c1-5(2,4-6)7-3;/h4,6H2,1-3H3;1H
• InChIKey: QGSZWELPEYEFQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-2-methylpropan-1-amine hydrochloride
• IUPAC Traditional name: 2-methoxy-2-methylpropan-1-amine hydrochloride
• Synonyms: 2-methoxy-2-methylpropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD20501966
• PubChem SID: 180668793
• PubChem CID: 24944773

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9685152
• LogD (pH = 7.4): -2.0745409
• Log P: 0.02471732
• Molar Refractivity: 30.0193 cm^3
• Polarizability: 12.157154 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 108 - 110°C
• Hydrophobicity(logP): 0.176

Product Information

• Purity: 95%