potassium (15N,18O3)nitrate

• ChemBase ID: 137074
• Molecular Formular: KNO3
• Molecular Mass: 108.0958919
• Monoisotopic Mass: 107.96129858
• SMILES: [15N+](=[18O])([18O-])[18O-].[K+]
• Canonical SMILES: [18O-][15N+](=[18O])[18O-].[K+]
• InChI: InChI=1S/K.NO3/c;2-1(3)4/q+1;-1/i;1+1,2+2,3+2,4+2
• InChIKey: FGIUAXJPYTZDNR-QKBJONFOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (^1^5N,^1^8O₃)nitrate
• IUPAC Traditional name: potassium (^1^5N,^1^8O₃)nitrate
• Synonyms: Potassium nitrate-15N,18O3; 硝酸钾-15N,18O3

Database IDs

• CAS Number: 285978-22-5
• MDL Number: MFCD01075404
• PubChem SID: 24872818; 162231339
• PubChem CID: 16213605

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3479722
• LogD (pH = 7.4): -2.3479848
• Log P: 0.028413763
• Molar Refractivity: 9.8534 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 68.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 334 °C(lit.)
• Mass Shift: M+7

Safety Information

• European Hazard Symbols: Oxidising (O); Harmful (Xn)
• UN Number: 1486
• German water hazard class: 1
• Hazard Class: 5.1
• Packing Group: 3
• Risk Statements: 8-22-36/37/38
• Safety Statements: 7-17-26-36
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H272-H302-H315-H319-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338
• RID/ADR: UN 1486 5.1/PG 3

Product Information

• Isotopic Purity: 95 atom % 18O; 98 atom % 15N
• Mol. Weight: mol wt 107.79 by atom % calculation
• Linear Formula: K15N18O3

DETAILS

Sigma Aldrich - 493295

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.