(1S)-5,6-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 808666
• Molecular Formular: C10H11Cl2N
• Molecular Mass: 216.10704
• Monoisotopic Mass: 215.02685472
• SMILES: N[C@@H]1c2ccc(c(c2CCC1)Cl)Cl
• Canonical SMILES: N[C@H]1CCCc2c1ccc(c2Cl)Cl
• InChI: InChI=1S/C10H11Cl2N/c11-8-5-4-6-7(10(8)12)2-1-3-9(6)13/h4-5,9H,1-3,13H2/t9-/m0/s1
• InChIKey: MWBLTXQYXDMWTF-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-5,6-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: (1S)-5,6-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: (1S)-5,6-DICHLORO-1,2,3,4-TETRAHYDRONAPHTHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.29761916
• LogD (pH = 7.4): 1.1432921
• Log P: 3.2958965
• Molar Refractivity: 56.3228 cm^3
• Polarizability: 22.175217 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%