2-(2,6-dichlorophenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 281125
• Molecular Formular: C9H10Cl3N
• Molecular Mass: 238.5414
• Monoisotopic Mass: 236.98788237
• SMILES: C1(CC1N)c1c(Cl)cccc1Cl.Cl
• Canonical SMILES: NC1CC1c1c(Cl)cccc1Cl.Cl
• InChI: InChI=1S/C9H9Cl2N.ClH/c10-6-2-1-3-7(11)9(6)5-4-8(5)12;/h1-3,5,8H,4,12H2;1H
• InChIKey: TVLVGKZGOXGIFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dichlorophenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2,6-dichlorophenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 2-(2,6-dichlorophenyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD20441605
• PubChem SID: 180666656
• PubChem CID: 54595390

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.43713546
• LogD (pH = 7.4): 0.5312038
• Log P: 2.5469718
• Molar Refractivity: 51.3062 cm^3
• Polarizability: 20.315468 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): 2.904

Product Information

• Purity: 95%