(2-methoxy-2-methylpropyl)(methyl)amine hydrochloride

• ChemBase ID: 237839
• Molecular Formular: C6H16ClNO
• Molecular Mass: 153.65034
• Monoisotopic Mass: 153.09204182
• SMILES: C(OC)(CNC)(C)C.Cl
• Canonical SMILES: CNCC(OC)(C)C.Cl
• InChI: InChI=1S/C6H15NO.ClH/c1-6(2,8-4)5-7-3;/h7H,5H2,1-4H3;1H
• InChIKey: VJKTYXFHMLNCHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxy-2-methylpropyl)(methyl)amine hydrochloride
• IUPAC Traditional name: (2-methoxy-2-methylpropyl)(methyl)amine hydrochloride
• Synonyms: (2-methoxy-2-methylpropyl)(methyl)amine hydrochloride

Database IDs

• MDL Number: MFCD22375281
• PubChem SID: 164293749
• PubChem CID: 71756023

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7596593
• LogD (pH = 7.4): -2.0283444
• Log P: 0.4572977
• Molar Refractivity: 34.7939 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181 - 183°C
• Hydrophobicity(logP): 0.48

Product Information

• Purity: 95%