3-(methylamino)cyclobutan-1-ol hydrochloride

• ChemBase ID: 285795
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: C1C(CC1O)NC.Cl
• Canonical SMILES: CNC1CC(C1)O.Cl
• InChI: InChI=1S/C5H11NO.ClH/c1-6-4-2-5(7)3-4;/h4-7H,2-3H2,1H3;1H
• InChIKey: SKMIPSOYGGVHLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methylamino)cyclobutan-1-ol hydrochloride
• IUPAC Traditional name: 3-(methylamino)cyclobutan-1-ol hydrochloride
• Synonyms: 3-(methylamino)cyclobutan-1-ol hydrochloride

Database IDs

• MDL Number: MFCD21602635
• PubChem SID: 180671326
• PubChem CID: 73994763

CALCULATED PROPERTIES

• Acid pKa: 15.4414
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.0146775
• LogD (pH = 7.4): -3.0976532
• Log P: -0.8150518
• Molar Refractivity: 28.0879 cm^3
• Polarizability: 11.356206 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.176

Product Information

• Purity: 95%