(13C,15N1)selenourea

• ChemBase ID: 135381
• Molecular Formular: CH5N2Se
• Molecular Mass: 126.00986374
• Monoisotopic Mass: 126.9621839
• SMILES: [13C](=[SeH])(N)[15NH2]
• Canonical SMILES: [15NH2][13C](=[SeH])N
• InChI: InChI=1S/CH4N2Se/c2-1(3)4/h(H4,2,3,4)/i1+1,2+1
• InChIKey: IYKVLICPFCEZOF-ZDOIIHCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C,^1^5N₁)selenourea
• IUPAC Traditional name: (^1^3C,^1^5N₁)selenourea
• Synonyms: Selenourea-13C,15N1; 硒脲-13C,15N1

Database IDs

• MDL Number: MFCD00190359
• PubChem SID: 162229655
• PubChem CID: 71309254

CALCULATED PROPERTIES

• Acid pKa: 17.910606
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -0.4622
• LogD (pH = 7.4): -0.4622
• Log P: -0.4622
• Molar Refractivity: 25.0588 cm^3
• Polarizability: 5.7092757 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 213-215 °C (dec.)
• Mass Shift: M+2

Product Information

• Isotopic Purity: 98 atom % 14N; 99 atom % 13C
• Mol. Weight: mol wt 124.98 by atom % calculation
• Linear Formula: H2N13CSe15NH2

DETAILS

Sigma Aldrich - 607975

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.