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

• ChemBase ID: 293331
• Molecular Formular: C5H14ClNO2
• Molecular Mass: 155.62316
• Monoisotopic Mass: 155.07130637
• SMILES: O[C@H]1C[C@H](N)CC1.Cl.O
• Canonical SMILES: N[C@@H]1CC[C@H](C1)O.O.Cl
• InChI: InChI=1S/C5H11NO.ClH.H2O/c6-4-1-2-5(7)3-4;;/h4-5,7H,1-3,6H2;1H;1H2/t4-,5-;;/m1../s1
• InChIKey: WYEITIARXBYULB-ALUAXPQUSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 180678862
• PubChem CID: 71710958

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: 95+%