6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride

• ChemBase ID: 813544
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: Cl.NC1CCc2c(ccc(c2)OC)C1
• Canonical SMILES: COc1ccc2c(c1)CCC(C2)N.Cl
• InChI: InChI=1S/C11H15NO.ClH/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11;/h3,5,7,10H,2,4,6,12H2,1H3;1H
• InChIKey: VANKCRQVOCWUPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
• IUPAC Traditional name: 6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
• Synonyms: 6-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE HYDROCHLORIDE

Database IDs

• CAS Number: 4003-88-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2461243
• LogD (pH = 7.4): -0.73201406
• Log P: 1.7742285
• Molar Refractivity: 53.3304 cm^3
• Polarizability: 20.863173 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%