2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

• ChemBase ID: 244836
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: c12C(C(CCc1cccc2)C)N.Cl
• Canonical SMILES: CC1CCc2c(C1N)cccc2.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-8-6-7-9-4-2-3-5-10(9)11(8)12;/h2-5,8,11H,6-7,12H2,1H3;1H
• InChIKey: LJWPUTVTDMLVDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• IUPAC Traditional name: 2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• Synonyms: 2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22741259
• PubChem SID: 164300746
• PubChem CID: 17765378

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5581349
• LogD (pH = 7.4): 0.13151836
• Log P: 2.45278
• Molar Refractivity: 51.1848 cm^3
• Polarizability: 20.307928 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 206 - 208°C
• Hydrophobicity(logP): 2.586

Product Information

• Purity: 95%