2-(3,4-dichlorophenyl)cyclopropan-1-amine

• ChemBase ID: 269592
• Molecular Formular: C9H9Cl2N
• Molecular Mass: 202.08046
• Monoisotopic Mass: 201.01120465
• SMILES: C1(CC1N)c1cc(c(cc1)Cl)Cl
• Canonical SMILES: NC1CC1c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C9H9Cl2N/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,9H,4,12H2
• InChIKey: HNSQANLLXAISTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)cyclopropan-1-amine
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)cyclopropan-1-amine
• Synonyms: 2-(3,4-dichlorophenyl)cyclopropan-1-amine

Database IDs

• MDL Number: MFCD12068314
• PubChem SID: 164325502
• PubChem CID: 12823178

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.44985142
• LogD (pH = 7.4): 0.4103718
• Log P: 2.5469718
• Molar Refractivity: 51.3062 cm^3
• Polarizability: 20.339252 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.784

Product Information

• Purity: 95%