1-[1-(morpholin-4-yl)cyclopentyl]ethan-1-amine dihydrochloride

• ChemBase ID: 282961
• Molecular Formular: C11H24Cl2N2O
• Molecular Mass: 271.22706
• Monoisotopic Mass: 270.12656876
• SMILES: C1(N2CCOCC2)(C(N)C)CCCC1.Cl.Cl
• Canonical SMILES: CC(C1(CCCC1)N1CCOCC1)N.Cl.Cl
• InChI: InChI=1S/C11H22N2O.2ClH/c1-10(12)11(4-2-3-5-11)13-6-8-14-9-7-13;;/h10H,2-9,12H2,1H3;2*1H
• InChIKey: OMOVFOUSHAOYQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(morpholin-4-yl)cyclopentyl]ethan-1-amine dihydrochloride
• IUPAC Traditional name: 1-[1-(morpholin-4-yl)cyclopentyl]ethanamine dihydrochloride
• Synonyms: 1-[1-(morpholin-4-yl)cyclopentyl]ethan-1-amine dihydrochloride

Database IDs

• MDL Number: MFCD20441713
• PubChem SID: 180668492
• PubChem CID: 54595571

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.205035
• LogD (pH = 7.4): -1.4163569
• Log P: 0.86973083
• Molar Refractivity: 57.734 cm^3
• Polarizability: 23.27968 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 220 - 222°C
• Hydrophobicity(logP): 1.35

Product Information

• Purity: 95%