rel-(1R,2S)-2-aminocyclopentan-1-ol hydrochloride

• ChemBase ID: 810463
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: Cl.[C@@H]1([C@H](CCC1)N)O
• Canonical SMILES: O[C@@H]1CCC[C@@H]1N.Cl
• InChI: InChI=1S/C5H11NO.ClH/c6-4-2-1-3-5(4)7;/h4-5,7H,1-3,6H2;1H/t4-,5+;/m0./s1
• InChIKey: ZFSXKSSWYSZPGQ-UYXJWNHNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: rel-(1R,2S)-2-aminocyclopentan-1-ol hydrochloride
• IUPAC Traditional name: rel-(1R,2S)-2-aminocyclopentan-1-ol hydrochloride
• Synonyms: CIS-2-AMINO-CYCLOPENTANOL HYDROCHLORIDE

Database IDs

• CAS Number: 31889-37-9

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

Product Information

• Purity: 98%