[2-(2,4-dichlorophenyl)cyclopropyl]methanamine hydrochloride

• ChemBase ID: 238942
• Molecular Formular: C10H12Cl3N
• Molecular Mass: 252.56798
• Monoisotopic Mass: 251.00353243
• SMILES: C1(CC1CN)c1c(cc(cc1)Cl)Cl.Cl
• Canonical SMILES: NCC1CC1c1ccc(cc1Cl)Cl.Cl
• InChI: InChI=1S/C10H11Cl2N.ClH/c11-7-1-2-8(10(12)4-7)9-3-6(9)5-13;/h1-2,4,6,9H,3,5,13H2;1H
• InChIKey: OMPRMNLJCKYRLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2,4-dichlorophenyl)cyclopropyl]methanamine hydrochloride
• IUPAC Traditional name: [2-(2,4-dichlorophenyl)cyclopropyl]methanamine hydrochloride
• Synonyms: [2-(2,4-dichlorophenyl)cyclopropyl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD22378663
• PubChem SID: 164294852
• PubChem CID: 71756273

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.23612837
• LogD (pH = 7.4): 0.28244978
• Log P: 2.784031
• Molar Refractivity: 56.114 cm^3
• Polarizability: 22.148186 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.143

Product Information

• Purity: 95%