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

• ChemBase ID: 262448
• Molecular Formular: C13H20ClN
• Molecular Mass: 225.7576
• Monoisotopic Mass: 225.12842733
• SMILES: c12c(CCC(C1)NCCC)cccc2.Cl
• Canonical SMILES: CCCNC1CCc2c(C1)cccc2.Cl
• InChI: InChI=1S/C13H19N.ClH/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13;/h3-6,13-14H,2,7-10H2,1H3;1H
• InChIKey: WVWHOUDPFIQFCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12913166
• PubChem SID: 164318358
• PubChem CID: 18331742

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.00923843
• LogD (pH = 7.4): 0.37712398
• Log P: 3.2438104
• Molar Refractivity: 60.9144 cm^3
• Polarizability: 23.92345 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 247 - 249°C
• Hydrophobicity(logP): 3.081

Product Information

• Purity: 95%