2-(1-aminocyclopropyl)ethan-1-ol hydrochloride

• ChemBase ID: 244718
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: C1(CC1)(N)CCO.Cl
• Canonical SMILES: OCCC1(N)CC1.Cl
• InChI: InChI=1S/C5H11NO.ClH/c6-5(1-2-5)3-4-7;/h7H,1-4,6H2;1H
• InChIKey: ZDXCGSRAZSWQJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22741236
• PubChem SID: 164300628
• PubChem CID: 20072991

CALCULATED PROPERTIES

• Acid pKa: 15.915599
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.882317
• LogD (pH = 7.4): -3.2787645
• Log P: -0.86626786
• Molar Refractivity: 28.1773 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

• Hydrophobicity(logP): -0.613

Product Information

• Purity: 95%