2-(naphthalen-2-yl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 272072
• Molecular Formular: C13H14ClN
• Molecular Mass: 219.70996
• Monoisotopic Mass: 219.08147713
• SMILES: C1(CC1N)c1cc2c(cc1)cccc2.Cl
• Canonical SMILES: NC1CC1c1ccc2c(c1)cccc2.Cl
• InChI: InChI=1S/C13H13N.ClH/c14-13-8-12(13)11-6-5-9-3-1-2-4-10(9)7-11;/h1-7,12-13H,8,14H2;1H
• InChIKey: UIHWPRLWVJNOFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(naphthalen-2-yl)cyclopropan-1-amine hydrochloride
• Synonyms: 2-(naphthalen-2-yl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD18089493
• PubChem SID: 164327982
• PubChem CID: 50988682

CALCULATED PROPERTIES

• Molar Refractivity: 58.1468 cm^3
• Polarizability: 24.246231 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6698013
• LogD (pH = 7.4): 0.17706078
• Log P: 2.3283591

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 2.652

Product Information

• Purity: 95%