3-aminocyclopentan-1-ol hydrochloride

• ChemBase ID: 70751
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: C1(CC(CC1)N)O.Cl
• Canonical SMILES: NC1CCC(C1)O.Cl
• InChI: InChI=1S/C5H11NO.ClH/c6-4-1-2-5(7)3-4;/h4-5,7H,1-3,6H2;1H
• InChIKey: SGKRJNWIEGYWGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminocyclopentan-1-ol hydrochloride
• IUPAC Traditional name: 3-aminocyclopentan-1-ol hydrochloride
• Synonyms: 3-Aminocyclopentanol hydrochloride

Database IDs

• CAS Number: 1184919-69-4
• MDL Number: MFCD16619116
• PubChem SID: 162036464
• PubChem CID: 19818428

CALCULATED PROPERTIES

• Acid pKa: 15.209525
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7511256
• LogD (pH = 7.4): -3.2488625
• Log P: -0.73026955
• Molar Refractivity: 27.9579 cm^3
• Polarizability: 11.356206 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%