2-amino-2-cyclopropylethan-1-ol hydrochloride

• ChemBase ID: 275111
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: C1(CC1)C(N)CO.Cl
• Canonical SMILES: OCC(C1CC1)N.Cl
• InChI: InChI=1S/C5H11NO.ClH/c6-5(3-7)4-1-2-4;/h4-5,7H,1-3,6H2;1H
• InChIKey: YPMKFTYTWTWHKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18839092
• PubChem SID: 164331021
• PubChem CID: 54593521

CALCULATED PROPERTIES

• Acid pKa: 15.118874
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4893913
• LogD (pH = 7.4): -2.8522546
• 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: 115 - 117°C
• Hydrophobicity(logP): -0.542

Product Information

• Purity: 95%