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

• ChemBase ID: 797290
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: Cl.c1c(c2c(cc1)CCC(C2)N)OC
• Canonical SMILES: COc1cccc2c1CC(N)CC2.Cl
• InChI: InChI=1S/C11H15NO.ClH/c1-13-11-4-2-3-8-5-6-9(12)7-10(8)11;/h2-4,9H,5-7,12H2,1H3;1H
• InChIKey: GDFOHXLSNDZEHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
• IUPAC Traditional name: 8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
• Synonyms: 8-Methoxy-1,2,3,4-tetrahydronaphthalen-2-aMine hydrochloride

Database IDs

• CAS Number: 3880-76-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2429858
• LogD (pH = 7.4): -0.6617906
• Log P: 1.7742285
• Molar Refractivity: 53.3304 cm^3
• Polarizability: 20.864677 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%