2-(2-methylpropoxy)ethan-1-amine hydrochloride

• ChemBase ID: 15399
• Molecular Formular: C6H16ClNO
• Molecular Mass: 153.65034
• Monoisotopic Mass: 153.09204182
• SMILES: NCCOCC(C)C.Cl
• Canonical SMILES: NCCOCC(C)C.Cl
• InChI: InChI=1S/C6H15NO.ClH/c1-6(2)5-8-4-3-7;/h6H,3-5,7H2,1-2H3;1H
• InChIKey: SQQGGCMNEHVGQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpropoxy)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2-methylpropoxy)ethanamine hydrochloride
• Synonyms: 2-Isobutoxy-1-ethanamine hydrochloride; 2-(2-methylpropoxy)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD09037389
• PubChem SID: 160978706
• PubChem CID: 45074943

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.411241
• LogD (pH = 7.4): -1.4355953
• Log P: 0.5718688
• Molar Refractivity: 34.7065 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.785

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%