(2,2-dichlorocyclopropyl)methanamine

• ChemBase ID: 242788
• Molecular Formular: C4H7Cl2N
• Molecular Mass: 140.01108
• Monoisotopic Mass: 138.99555459
• SMILES: C1(C(C1)CN)(Cl)Cl
• Canonical SMILES: NCC1CC1(Cl)Cl
• InChI: InChI=1S/C4H7Cl2N/c5-4(6)1-3(4)2-7/h3H,1-2,7H2
• InChIKey: AZJBFYHLWRPAIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dichlorocyclopropyl)methanamine
• IUPAC Traditional name: (2,2-dichlorocyclopropyl)methanamine
• Synonyms: (2,2-dichlorocyclopropyl)methylamine

Database IDs

• CAS Number: 68618-71-3
• MDL Number: MFCD06213344
• PubChem SID: 164298698
• PubChem CID: 4961683

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1379719
• LogD (pH = 7.4): -1.669918
• Log P: 0.88425887
• Molar Refractivity: 31.8776 cm^3
• Polarizability: 12.630516 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.575

Product Information

• Purity: 95%