potassium (15N)cyanate

• ChemBase ID: 136179
• Molecular Formular: CKNO
• Molecular Mass: 82.1085089
• Monoisotopic Mass: 81.9587302
• SMILES: C(#[15N])[O-].[K+]
• Canonical SMILES: [O-]C#[15N].[K+]
• InChI: InChI=1S/CHNO.K/c2-1-3;/h3H;/q;+1/p-1/i2+1
• InChIKey: GKKCIDNWFBPDBW-CGOMOMTCSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (^1^5N)cyanate
• IUPAC Traditional name: potassium (^1^5N)cyanate
• Synonyms: Potassium cyanate-15N; 氰酸钾-15N

Database IDs

• CAS Number: 62481-07-6
• MDL Number: MFCD08702871
• PubChem SID: 162230450
• PubChem CID: 71309647

CALCULATED PROPERTIES

• Acid pKa: 0.35919684
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -3.534109
• LogD (pH = 7.4): -3.5371897
• Log P: -0.53806055
• Molar Refractivity: 19.7705 cm^3
• Polarizability: 2.8882353 Å^3
• Polar Surface Area: 46.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 82.09 by atom % calculation
• Linear Formula: KOC15N

DETAILS

Sigma Aldrich - 609358

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.