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

• ChemBase ID: 811235
• Molecular Formular: C10H12ClN
• Molecular Mass: 181.66198
• Monoisotopic Mass: 181.06582707
• SMILES: NC1CCc2c(cc(cc2)Cl)C1
• Canonical SMILES: NC1Cc2cc(Cl)ccc2CC1
• InChI: InChI=1S/C10H12ClN/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5,10H,2,4,6,12H2
• InChIKey: YGTHAPVEIKCPDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 63823-26-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.48283213
• LogD (pH = 7.4): 0.0663333
• Log P: 2.5359445
• Molar Refractivity: 51.672 cm^3
• Polarizability: 20.192919 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%