2-(2,3-dichlorophenoxy)propan-1-amine

• ChemBase ID: 808792
• Molecular Formular: C9H11Cl2NO
• Molecular Mass: 220.09574
• Monoisotopic Mass: 219.02176934
• SMILES: NCC(C)Oc1c(c(ccc1)Cl)Cl
• Canonical SMILES: CC(Oc1cccc(c1Cl)Cl)CN
• InChI: InChI=1S/C9H11Cl2NO/c1-6(5-12)13-8-4-2-3-7(10)9(8)11/h2-4,6H,5,12H2,1H3
• InChIKey: VKGSHPYPOHHBLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dichlorophenoxy)propan-1-amine
• IUPAC Traditional name: 2-(2,3-dichlorophenoxy)propan-1-amine
• Synonyms: 2-(2,3-DICHLORO-PHENOXY)-PROPYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.32489166
• LogD (pH = 7.4): 0.74588466
• Log P: 2.6432552
• Molar Refractivity: 54.4994 cm^3
• Polarizability: 21.864609 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%