[2-(dimethylamino)cyclopentyl]methanol hydrochloride

• ChemBase ID: 806293
• Molecular Formular: C8H18ClNO
• Molecular Mass: 179.68762
• Monoisotopic Mass: 179.10769188
• SMILES: Cl.C(O)C1C(CCC1)N(C)C
• Canonical SMILES: OCC1CCCC1N(C)C.Cl
• InChI: InChI=1S/C8H17NO.ClH/c1-9(2)8-5-3-4-7(8)6-10;/h7-8,10H,3-6H2,1-2H3;1H
• InChIKey: JHOOQAFASSLHNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)cyclopentyl]methanol hydrochloride
• IUPAC Traditional name: [2-(dimethylamino)cyclopentyl]methanol hydrochloride
• Synonyms: (2-METHYL-2-CIS-METHYLAMINO-CYCLOPENTYL)-METHANOL HYDROCHLORIDE

CALCULATED PROPERTIES

• Acid pKa: 15.422609
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.921267
• LogD (pH = 7.4): -1.8449548
• Log P: 0.5147223
• Molar Refractivity: 42.7028 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%