2-[(2-methylprop-2-en-1-yl)oxy]ethan-1-amine hydrochloride

• ChemBase ID: 238811
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: C(=C)(COCCN)C.Cl
• Canonical SMILES: NCCOCC(=C)C.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-6(2)5-8-4-3-7;/h1,3-5,7H2,2H3;1H
• InChIKey: NEYDYLMEEMKTNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-methylprop-2-en-1-yl)oxy]ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-[(2-methylprop-2-en-1-yl)oxy]ethanamine hydrochloride
• Synonyms: 2-[(2-methylprop-2-en-1-yl)oxy]ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22378638
• PubChem SID: 164294721
• PubChem CID: 71756238

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6808796
• LogD (pH = 7.4): -1.704846
• Log P: 0.3021767
• Molar Refractivity: 34.407 cm^3
• Polarizability: 13.762245 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.501

Product Information

• Purity: 95%