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

• ChemBase ID: 808737
• Molecular Formular: C9H11Cl2N
• Molecular Mass: 204.09634
• Monoisotopic Mass: 203.02685472
• SMILES: NCCCc1c(c(ccc1)Cl)Cl
• Canonical SMILES: NCCCc1cccc(c1Cl)Cl
• InChI: InChI=1S/C9H11Cl2N/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1,3,5H,2,4,6,12H2
• InChIKey: DKHTWIWQBPNSSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• Polarizability: 21.064245 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.020344773
• LogD (pH = 7.4): 0.54281944
• Log P: 3.0403335
• Molar Refractivity: 53.497 cm^3

PROPERTIES

Product Information

• Purity: 98%