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

• ChemBase ID: 254788
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: c12c(CCCC1NC)cccc2.Cl
• Canonical SMILES: CNC1CCCc2c1cccc2.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-12-11-8-4-6-9-5-2-3-7-10(9)11;/h2-3,5,7,11-12H,4,6,8H2,1H3;1H
• InChIKey: DXTXXJLZWGNMLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01712022
• PubChem SID: 164310698
• PubChem CID: 43810504

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.69241476
• LogD (pH = 7.4): 0.09200444
• Log P: 2.5203876
• Molar Refractivity: 51.4878 cm^3
• Polarizability: 20.307953 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C
• Hydrophobicity(logP): 2.483

Product Information

• Purity: 95%