(1-13C)but-1-ene

• ChemBase ID: 135054
• Molecular Formular: C4H8
• Molecular Mass: 57.09897484
• Monoisotopic Mass: 57.06595509
• SMILES: CCC=[13CH2]
• Canonical SMILES: CCC=[13CH2]
• InChI: InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3/i1+1
• InChIKey: VXNZUUAINFGPBY-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-^1^3C)but-1-ene
• IUPAC Traditional name: (1-^1^3C)but-1-ene
• Synonyms: 1-Butene-1-13C; 1-丁烯-1-13C

Database IDs

• MDL Number: MFCD01073826
• PubChem SID: 162229329
• PubChem CID: 12205433

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9380126
• LogD (pH = 7.4): 1.9380126
• Log P: 1.9380126
• Molar Refractivity: 20.2503 cm^3
• Polarizability: 7.912242 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+1

Product Information

• Isotopic Purity: 99 atom % 13C
• Linear Formula: CH3CH2CH=13CH2

DETAILS

Sigma Aldrich - 603333

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.