1,2,3,4-tetrahydronaphthalen-2-ylmethanamine hydrochloride

• ChemBase ID: 276310
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: c12c(CCC(C1)CN)cccc2.Cl
• Canonical SMILES: NCC1CCc2c(C1)cccc2.Cl
• InChI: InChI=1S/C11H15N.ClH/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-4,9H,5-8,12H2;1H
• InChIKey: WDCSGSJPRMEWKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11506001
• PubChem SID: 164332220
• PubChem CID: 19888715

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.77349746
• LogD (pH = 7.4): -0.2607157
• Log P: 2.2469125
• Molar Refractivity: 51.598 cm^3
• Polarizability: 20.230215 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 186 - 188°C
• Hydrophobicity(logP): 2.346

Product Information

• Purity: 95%