(potassioselanyl)(15N)carbonitrile

• ChemBase ID: 135236
• Molecular Formular: CKNSe
• Molecular Mass: 146.06176374
• Monoisotopic Mass: 146.88369142
• SMILES: [13C](#[15N])[Se][K]
• Canonical SMILES: [K][Se][13C]#[15N]
• InChI: InChI=1S/CHNSe.K/c2-1-3;/h3H;/q;+1/p-1/i1+1,2+1
• InChIKey: KYEKHFSRAXRJBR-AWQJXPNKSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (potassioselanyl)(^1^5N)carbonitrile
• IUPAC Traditional name: potassioselanyl(^1^5N)carbonitrile
• Synonyms: Potassium selenocyanate-13C,15N; 硒氰酸钾-13C,15N

Database IDs

• MDL Number: MFCD01075402
• PubChem SID: 162229511
• PubChem CID: 71309166

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.4626
• LogD (pH = 7.4): -1.4626
• Log P: -1.4626
• Molar Refractivity: 19.7705 cm^3
• Polarizability: 5.6656337 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100 °C(lit.)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3283
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23/25-33-50/53
• Safety Statements: 20/21-28-45-60-61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H331-H373-H410
• GHS Precautionary statements: P261-P273-P301 + P310-P311-P501
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3283 6.1/PG 2

Product Information

• Purity: 97% (CP)
• Isotopic Purity: 98 atom % 15N; 99 atom % 13C
• Mol. Weight: mol wt 146.04 by atom % calculation
• Linear Formula: KSe13C15N

DETAILS

Sigma Aldrich - 608564

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.