2-iodo(1-13C)propane

• ChemBase ID: 135142
• Molecular Formular: C3H7I
• Molecular Mass: 170.98480484
• Monoisotopic Mass: 170.96260306
• SMILES: CC([13CH3])I
• Canonical SMILES: [13CH3]C(I)C
• InChI: InChI=1S/C3H7I/c1-3(2)4/h3H,1-2H3/i1+1
• InChIKey: FMKOJHQHASLBPH-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo(1-^1^3C)propane
• IUPAC Traditional name: 2-iodo(1-^1^3C)propane
• Synonyms: Isopropyl iodide-1-13C; 2-Iodopropane-1-13C; 异丙基碘-1-13C; 2-碘代丙烷-1-13C

Database IDs

• MDL Number: MFCD00190326
• PubChem SID: 162229417
• PubChem CID: 71309110

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1213927
• LogD (pH = 7.4): 2.1213927
• Log P: 2.1213927
• Molar Refractivity: 28.7611 cm^3
• Polarizability: 11.389769 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 88-90 °C(lit.)
• Density: 1.713 g/mL at 25 °C
• Mass Shift: M+1

Product Information

• Isotopic Purity: 99 atom % 13C
• Contains: copper as stabilizer
• Mol. Weight: mol wt 170.98 by atom % calculation
• Linear Formula: CH3CHI13CH3

DETAILS

Sigma Aldrich - 603724

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.