rel-(1R,3R)-3-aminocyclopentan-1-ol hydrochloride

• ChemBase ID: 797362
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: Cl.[C@@H]1(C[C@@H](CC1)N)O
• Canonical SMILES: N[C@@H]1CC[C@H](C1)O.Cl
• InChI: InChI=1S/C5H11NO.ClH/c6-4-1-2-5(7)3-4;/h4-5,7H,1-3,6H2;1H/t4-,5-;/m1./s1
• InChIKey: SGKRJNWIEGYWGE-TYSVMGFPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: rel-(1R,3R)-3-aminocyclopentan-1-ol hydrochloride
• IUPAC Traditional name: rel-(1R,3R)-3-aminocyclopentan-1-ol hydrochloride
• Synonyms: (1R,3R)-rel-3-AMinocyclopentanol hydrochloride

Database IDs

• CAS Number: 124555-33-5

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

Product Information

• Purity: 97%