2-(naphthalen-2-ylmethyl)pyrrolidine hydrochloride

• ChemBase ID: 266078
• Molecular Formular: C15H18ClN
• Molecular Mass: 247.76312
• Monoisotopic Mass: 247.11277726
• SMILES: N1C(Cc2cc3c(cc2)cccc3)CCC1.Cl
• Canonical SMILES: C1CNC(C1)Cc1ccc2c(c1)cccc2.Cl
• InChI: InChI=1S/C15H17N.ClH/c1-2-5-14-10-12(7-8-13(14)4-1)11-15-6-3-9-16-15;/h1-2,4-5,7-8,10,15-16H,3,6,9,11H2;1H
• InChIKey: KKWZGGCWCFQJCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD15209581
• PubChem SID: 164321988
• PubChem CID: 47002580

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.03531222
• LogD (pH = 7.4): 0.17103754
• Log P: 3.2752972
• Molar Refractivity: 67.7224 cm^3
• Polarizability: 27.93735 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162 - 164°C
• Hydrophobicity(logP): 3.637

Product Information

• Purity: 95%