1-(2,5-dichlorophenyl)propan-1-amine

• ChemBase ID: 306404
• Molecular Formular: C9H11Cl2N
• Molecular Mass: 204.09634
• Monoisotopic Mass: 203.02685472
• SMILES: c1(c(ccc(c1)Cl)Cl)C(N)CC
• Canonical SMILES: CCC(c1cc(Cl)ccc1Cl)N
• InChI: InChI=1S/C9H11Cl2N/c1-2-9(12)7-5-6(10)3-4-8(7)11/h3-5,9H,2,12H2,1H3
• InChIKey: QDTICOAVVMENTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,5-dichlorophenyl)propan-1-amine
• IUPAC Traditional name: 1-(2,5-dichlorophenyl)propan-1-amine
• Synonyms: 1-(2,5-dichlorophenyl)propan-1-amine

Database IDs

• CAS Number: 924817-45-8
• MDL Number: MFCD08728556

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.27116504
• LogD (pH = 7.4): 1.3011885
• Log P: 3.246201
• Molar Refractivity: 53.0838 cm^3
• Polarizability: 21.107224 Å^3
• Polar Surface Area: 26.02 Å^2