2-(naphthalen-2-yl)pyrrolidine hydrochloride

• ChemBase ID: 269357
• Molecular Formular: C14H16ClN
• Molecular Mass: 233.73654
• Monoisotopic Mass: 233.0971272
• SMILES: c1(cc2c(cc1)cccc2)C1NCCC1.Cl
• Canonical SMILES: C1CNC(C1)c1ccc2c(c1)cccc2.Cl
• InChI: InChI=1S/C14H15N.ClH/c1-2-5-12-10-13(8-7-11(12)4-1)14-6-3-9-15-14;/h1-2,4-5,7-8,10,14-15H,3,6,9H2;1H
• InChIKey: PIHQPDGYUTULSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yl)pyrrolidine hydrochloride
• IUPAC Traditional name: 2-(naphthalen-2-yl)pyrrolidine hydrochloride
• Synonyms: 2-(naphthalen-2-yl)pyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD06740439
• PubChem SID: 164325267
• PubChem CID: 44630993

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.2510587
• LogD (pH = 7.4): -0.0013241619
• Log P: 2.986636
• Molar Refractivity: 62.9674 cm^3
• Polarizability: 26.17428 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.108

Product Information

• Purity: 95%