2-aminocyclopentan-1-ol hydrochloride

• ChemBase ID: 264804
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: C1(C(O)CCC1)N.Cl
• Canonical SMILES: OC1CCCC1N.Cl
• InChI: InChI=1S/C5H11NO.ClH/c6-4-2-1-3-5(4)7;/h4-5,7H,1-3,6H2;1H
• InChIKey: ZFSXKSSWYSZPGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminocyclopentan-1-ol hydrochloride
• IUPAC Traditional name: 2-aminocyclopentan-1-ol hydrochloride
• Synonyms: 2-aminocyclopentan-1-ol hydrochloride

Database IDs

• MDL Number: MFCD14705642
• PubChem SID: 164320714
• PubChem CID: 16114817

CALCULATED PROPERTIES

• Acid pKa: 14.611689
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3597982
• LogD (pH = 7.4): -2.722022
• Log P: -0.3456606
• Molar Refractivity: 27.6935 cm^3
• Polarizability: 11.356206 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): -0.452

Product Information

• Purity: 95%