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

• ChemBase ID: 255135
• Molecular Formular: C12H14ClN
• Molecular Mass: 207.69926
• Monoisotopic Mass: 207.08147713
• SMILES: c1(cc2c(cc1)cccc2)C(N)C.Cl
• Canonical SMILES: CC(c1ccc2c(c1)cccc2)N.Cl
• InChI: InChI=1S/C12H13N.ClH/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;/h2-9H,13H2,1H3;1H
• InChIKey: SVJSCAQZYGXVIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(naphthalen-2-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 1-(naphthalen-2-yl)ethanamine hydrochloride
• Synonyms: 1-(2-naphthyl)ethanamine hydrochloride

Database IDs

• MDL Number: MFCD09971448
• PubChem SID: 164311045
• PubChem CID: 24686261

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.49749792
• LogD (pH = 7.4): 0.3018275
• Log P: 2.505066
• Molar Refractivity: 55.4004 cm^3
• Polarizability: 23.241978 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.577

Product Information

• Purity: 95%