(1R)-6,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 808671
• Molecular Formular: C10H11Cl2N
• Molecular Mass: 216.10704
• Monoisotopic Mass: 215.02685472
• SMILES: N[C@H]1c2cc(c(cc2CCC1)Cl)Cl
• Canonical SMILES: N[C@@H]1CCCc2c1cc(Cl)c(c2)Cl
• InChI: InChI=1S/C10H11Cl2N/c11-8-4-6-2-1-3-10(13)7(6)5-9(8)12/h4-5,10H,1-3,13H2/t10-/m1/s1
• InChIKey: MWHCNDHYTRDREW-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-6,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: (1R)-6,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: (R)-6,7-DICHLORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.2983781
• LogD (pH = 7.4): 1.1517133
• Log P: 3.2958965
• Molar Refractivity: 56.3228 cm^3
• Polarizability: 22.172276 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%