(3-13C)prop-1-yne

• ChemBase ID: 135116
• Molecular Formular: C3H4
• Molecular Mass: 41.05651484
• Monoisotopic Mass: 41.03465497
• SMILES: [13CH3]C#C
• Canonical SMILES: [13CH3]C#C
• InChI: InChI=1S/C3H4/c1-3-2/h1H,2H3/i2+1
• InChIKey: MWWATHDPGQKSAR-VQEHIDDOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-^1^3C)prop-1-yne
• IUPAC Traditional name: (3-^1^3C)prop-1-yne
• Synonyms: Methyl-13C-acetylene; Propyne-3-13C; 甲基乙炔-13C; 丙炔-3-13C

Database IDs

• MDL Number: MFCD01075506
• PubChem SID: 162229391
• PubChem CID: 12204881

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.9902771
• LogD (pH = 7.4): 0.9902771
• Log P: 0.9902771
• Molar Refractivity: 14.0668 cm^3
• Polarizability: 5.1768904 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+1

Product Information

• Isotopic Purity: 99 atom % 13C
• Linear Formula: 13CH3C≡CH

DETAILS

Sigma Aldrich - 603341

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.