7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine

• ChemBase ID: 811237
• Molecular Formular: C10H12BrN
• Molecular Mass: 226.11298
• Monoisotopic Mass: 225.01531139
• SMILES: NC1CCc2c(cc(cc2)Br)C1
• Canonical SMILES: NC1Cc2cc(Br)ccc2CC1
• InChI: InChI=1S/C10H12BrN/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5,10H,2,4,6,12H2
• InChIKey: PNTPMWBRGXAFII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: 7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
• Synonyms: 7-BROMO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE

Database IDs

• CAS Number: 885280-71-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.31830058
• LogD (pH = 7.4): 0.22708644
• Log P: 2.7006524
• Molar Refractivity: 54.49 cm^3
• Polarizability: 21.049294 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%