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

• ChemBase ID: 808676
• Molecular Formular: C10H12BrN
• Molecular Mass: 226.11298
• Monoisotopic Mass: 225.01531139
• SMILES: c1(cc2c(cc1)CCCC2N)Br
• Canonical SMILES: Brc1ccc2c(c1)C(N)CCC2
• InChI: InChI=1S/C10H12BrN/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,10H,1-3,12H2
• InChIKey: PHUSWQSCHYYQQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: 7-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: 7-BROMO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE

Database IDs

• CAS Number: 865472-04-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.14594391
• LogD (pH = 7.4): 0.65407234
• Log P: 2.8565598
• Molar Refractivity: 54.336 cm^3
• Polarizability: 21.119581 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%