(2H1)ethene

• ChemBase ID: 134939
• Molecular Formular: C2H4
• Molecular Mass: 28.05316
• Monoisotopic Mass: 28.03130013
• SMILES: C=C
• Canonical SMILES: C=C
• InChI: InChI=1S/C2H4/c1-2/h1-2H2
• InChIKey: VGGSQFUCUMXWEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₁)ethene
• IUPAC Traditional name: (^2H₁)ethene
• Synonyms: Ethylene-d1; 乙烯-d1

Database IDs

• MDL Number: MFCD00190445
• PubChem SID: 24882143; 162229214
• PubChem CID: 137676

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1068089
• LogD (pH = 7.4): 1.1068089
• Log P: 1.1068089
• Molar Refractivity: 9.9758 cm^3
• Polarizability: 4.227136 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -169 °C(lit.)
• Boiling Point: -104 °C(lit.)
• Mass Shift: M+1

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 29.05 by atom % calculation
• Linear Formula: CH2=CHD

DETAILS

Sigma Aldrich - 614637

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.