5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 808667
• Molecular Formular: C10H11Cl2N
• Molecular Mass: 216.10704
• Monoisotopic Mass: 215.02685472
• SMILES: NC1c2cc(cc(c2CCC1)Cl)Cl
• Canonical SMILES: Clc1cc2C(N)CCCc2c(c1)Cl
• InChI: InChI=1S/C10H11Cl2N/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13/h4-5,10H,1-3,13H2
• InChIKey: ZDKDCHIVZVZNMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: 5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: 5,7-DICHLORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.30443898
• LogD (pH = 7.4): 1.2140621
• Log P: 3.2958965
• Molar Refractivity: 56.3228 cm^3
• Polarizability: 22.144535 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%