2-(cyclopropylamino)ethan-1-ol

• ChemBase ID: 256838
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: C1(CC1)NCCO
• Canonical SMILES: OCCNC1CC1
• InChI: InChI=1S/C5H11NO/c7-4-3-6-5-1-2-5/h5-7H,1-4H2
• InChIKey: GOYFAIZCVVGXNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09815646
• PubChem SID: 164312748
• PubChem CID: 19100566

CALCULATED PROPERTIES

• Acid pKa: 15.601731
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5978165
• LogD (pH = 7.4): -2.5445971
• Log P: -0.41741595
• Molar Refractivity: 28.1969 cm^3
• Polarizability: 11.356206 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.637

Product Information

• Purity: 95%