2-aminocyclobutan-1-ol hydrochloride

• ChemBase ID: 248820
• Molecular Formular: C4H10ClNO
• Molecular Mass: 123.5813
• Monoisotopic Mass: 123.04509163
• SMILES: C1(C(CC1)O)N.Cl
• Canonical SMILES: OC1CCC1N.Cl
• InChI: InChI=1S/C4H9NO.ClH/c5-3-1-2-4(3)6;/h3-4,6H,1-2,5H2;1H
• InChIKey: VIESMOHTDHXTQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminocyclobutan-1-ol hydrochloride
• IUPAC Traditional name: 2-aminocyclobutan-1-ol hydrochloride
• Synonyms: 2-aminocyclobutan-1-ol hydrochloride

Database IDs

• PubChem SID: 164304730
• PubChem CID: 71758597

CALCULATED PROPERTIES

• Acid pKa: 14.806328
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7912521
• LogD (pH = 7.4): -2.9746268
• Log P: -0.79022926
• Molar Refractivity: 23.0925 cm^3
• Polarizability: 9.517664 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): -1.011

Product Information

• Purity: 95%