2-amino-1-cyclopropylethan-1-ol

• ChemBase ID: 269626
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: C1(CC1)C(O)CN
• Canonical SMILES: NCC(C1CC1)O
• InChI: InChI=1S/C5H11NO/c6-3-5(7)4-1-2-4/h4-5,7H,1-3,6H2
• InChIKey: JCAJMHONCHYTCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-cyclopropylethan-1-ol
• IUPAC Traditional name: 2-amino-1-cyclopropylethanol
• Synonyms: 2-amino-1-cyclopropylethan-1-ol

Database IDs

• MDL Number: MFCD11043287
• PubChem SID: 164325536
• PubChem CID: 14852098

CALCULATED PROPERTIES

• Acid pKa: 14.59681
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4712641
• LogD (pH = 7.4): -2.6034968
• Log P: -0.47521654
• Molar Refractivity: 27.8233 cm^3
• Polarizability: 11.356206 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 34 - 36°C
• Hydrophobicity(logP): -0.542

Product Information

• Purity: 95%