2-(2,4-dichlorophenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 271961
• Molecular Formular: C9H10Cl3N
• Molecular Mass: 238.5414
• Monoisotopic Mass: 236.98788237
• SMILES: C1(CC1N)c1c(cc(cc1)Cl)Cl.Cl
• Canonical SMILES: NC1CC1c1ccc(cc1Cl)Cl.Cl
• InChI: InChI=1S/C9H9Cl2N.ClH/c10-5-1-2-6(8(11)3-5)7-4-9(7)12;/h1-3,7,9H,4,12H2;1H
• InChIKey: VBYWXDXPQBZRIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dichlorophenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2,4-dichlorophenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 2-(2,4-dichlorophenyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD18089465
• PubChem SID: 164327871
• PubChem CID: 50988672

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.44428474
• LogD (pH = 7.4): 0.46707055
• Log P: 2.5469718
• Molar Refractivity: 51.3062 cm^3
• Polarizability: 20.31229 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 203 - 205°C
• Hydrophobicity(logP): 2.904

Product Information

• Purity: 95%