2-(1-aminocyclobutyl)ethan-1-ol hydrochloride

• ChemBase ID: 286351
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: C1(N)(CCO)CCC1.Cl
• Canonical SMILES: OCCC1(N)CCC1.Cl
• InChI: InChI=1S/C6H13NO.ClH/c7-6(4-5-8)2-1-3-6;/h8H,1-5,7H2;1H
• InChIKey: WORWYISVFTZNAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-aminocyclobutyl)ethan-1-ol hydrochloride
• IUPAC Traditional name: 2-(1-aminocyclobutyl)ethanol hydrochloride
• Synonyms: 2-(1-aminocyclobutyl)ethan-1-ol hydrochloride

Database IDs

• MDL Number: MFCD21602790
• PubChem SID: 180671882
• PubChem CID: 73994860

CALCULATED PROPERTIES

• Acid pKa: 15.915602
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4443693
• LogD (pH = 7.4): -2.9878728
• Log P: -0.42169923
• Molar Refractivity: 32.7783 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102 - 104°C
• Hydrophobicity(logP): -0.054

Product Information

• Purity: 95%