2-(2,3-dichlorophenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 273655
• Molecular Formular: C9H10Cl3N
• Molecular Mass: 238.5414
• Monoisotopic Mass: 236.98788237
• SMILES: C1(CC1N)c1c(c(Cl)ccc1)Cl.Cl
• Canonical SMILES: NC1CC1c1cccc(c1Cl)Cl.Cl
• InChI: InChI=1S/C9H9Cl2N.ClH/c10-7-3-1-2-5(9(7)11)6-4-8(6)12;/h1-3,6,8H,4,12H2;1H
• InChIKey: OVCXBYZZPOUHKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dichlorophenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2,3-dichlorophenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 2-(2,3-dichlorophenyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD18785529
• PubChem SID: 164329565
• PubChem CID: 54592893

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4434048
• LogD (pH = 7.4): 0.47544396
• Log P: 2.5469718
• Molar Refractivity: 51.3062 cm^3
• Polarizability: 20.342634 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 200 - 202°C
• Hydrophobicity(logP): 2.784

Product Information

• Purity: 95%