[3-(2,3-dichlorophenyl)propyl](methyl)amine

• ChemBase ID: 808770
• Molecular Formular: C10H13Cl2N
• Molecular Mass: 218.12292
• Monoisotopic Mass: 217.04250478
• SMILES: N(C)CCCc1c(c(ccc1)Cl)Cl
• Canonical SMILES: CNCCCc1cccc(c1Cl)Cl
• InChI: InChI=1S/C10H13Cl2N/c1-13-7-3-5-8-4-2-6-9(11)10(8)12/h2,4,6,13H,3,5,7H2,1H3
• InChIKey: VDCDETGJEYXSQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2,3-dichlorophenyl)propyl](methyl)amine
• IUPAC Traditional name: [3-(2,3-dichlorophenyl)propyl](methyl)amine
• Synonyms: [3-(2,3-DICHLORO-PHENYL)-PROPYL]-METHYL-AMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.24549612
• LogD (pH = 7.4): 0.800534
• Log P: 3.472914
• Molar Refractivity: 58.2716 cm^3
• Polarizability: 22.902319 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%