1-(4-iodophenyl)cyclopropan-1-amine

• ChemBase ID: 799082
• Molecular Formular: C9H10IN
• Molecular Mass: 259.08687
• Monoisotopic Mass: 258.98579733
• SMILES: C1(CC1)(N)c1ccc(cc1)I
• Canonical SMILES: NC1(CC1)c1ccc(cc1)I
• InChI: InChI=1S/C9H10IN/c10-8-3-1-7(2-4-8)9(11)5-6-9/h1-4H,5-6,11H2
• InChIKey: LSKQMYZRANBMEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-iodophenyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(4-iodophenyl)cyclopropan-1-amine
• Synonyms: 1-(4-iodophenyl)cyclopropanamine

Database IDs

• CAS Number: 630384-20-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5763025
• LogD (pH = 7.4): 0.3143991
• Log P: 2.4172919
• Molar Refractivity: 54.9947 cm^3
• Polarizability: 21.697912 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%