1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride

• ChemBase ID: 284873
• Molecular Formular: C9H16ClN3O
• Molecular Mass: 217.69584
• Monoisotopic Mass: 217.09818983
• SMILES: n1c(onc1C1CCCC1)C(N)C.Cl
• Canonical SMILES: CC(c1onc(n1)C1CCCC1)N.Cl
• InChI: InChI=1S/C9H15N3O.ClH/c1-6(10)9-11-8(12-13-9)7-4-2-3-5-7;/h6-7H,2-5,10H2,1H3;1H
• InChIKey: KBJOFPAAPZIITI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethanamine hydrochloride
• Synonyms: 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD20731166
• PubChem SID: 180670404
• PubChem CID: 56814717

CALCULATED PROPERTIES

• Log P: 1.6843178
• Molar Refractivity: 50.194 cm^3
• Polarizability: 19.058325 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.15440097
• LogD (pH = 7.4): 1.4072739

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): 0.586

Product Information

• Purity: 95%