methyl[1-(naphthalen-2-yl)ethyl]amine hydrochloride

• ChemBase ID: 45317
• Molecular Formular: C13H16ClN
• Molecular Mass: 221.72584
• Monoisotopic Mass: 221.0971272
• SMILES: c1(cc2c(cc1)cccc2)C(NC)C.Cl
• Canonical SMILES: CNC(c1ccc2c(c1)cccc2)C.Cl
• InChI: InChI=1S/C13H15N.ClH/c1-10(14-2)12-8-7-11-5-3-4-6-13(11)9-12;/h3-10,14H,1-2H3;1H
• InChIKey: ALXRPPVLEBEFEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(naphthalen-2-yl)ethyl]amine hydrochloride
• IUPAC Traditional name: methyl[1-(naphthalen-2-yl)ethyl]amine hydrochloride
• Synonyms: N-Methyl-1-(2-naphthyl)ethanamine hydrochloride; methyl[1-(naphthalen-2-yl)ethyl]amine hydrochloride

Database IDs

• MDL Number: MFCD13195885
• PubChem SID: 162050080
• PubChem CID: 44229277

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.2710727
• LogD (pH = 7.4): 0.559427
• Log P: 2.9376464
• Molar Refractivity: 60.175 cm^3
• Polarizability: 25.085386 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.993

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%