1-(3-iodophenyl)cyclopropan-1-amine

• ChemBase ID: 799081
• Molecular Formular: C9H10IN
• Molecular Mass: 259.08687
• Monoisotopic Mass: 258.98579733
• SMILES: C1(CC1)(N)c1cc(ccc1)I
• Canonical SMILES: Ic1cccc(c1)C1(N)CC1
• InChI: InChI=1S/C9H10IN/c10-8-3-1-2-7(6-8)9(11)4-5-9/h1-3,6H,4-5,11H2
• InChIKey: SEBBJMFEPMSQIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-iodophenyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(3-iodophenyl)cyclopropan-1-amine
• Synonyms: 1-(3-iodophenyl)cyclopropanamine

Database IDs

• CAS Number: 777055-30-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.57221276
• LogD (pH = 7.4): 0.35391816
• Log P: 2.4172919
• Molar Refractivity: 54.9947 cm^3
• Polarizability: 21.697954 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%