calcium di(15N)nitrate

• ChemBase ID: 138230
• Molecular Formular: CaN2O6
• Molecular Mass: 166.0746178
• Monoisotopic Mass: 165.9322965
• SMILES: [15N+](=O)([O-])[O-].[15N+](=O)([O-])[O-].[Ca+2]
• Canonical SMILES: [O-][15N+](=O)[O-].[O-][15N+](=O)[O-].[Ca+2]
• InChI: InChI=1S/Ca.2NO3/c;2*2-1(3)4/q+2;2*-1/i;2*1+1
• InChIKey: ZCCIPPOKBCJFDN-IMSGLENWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium di(^1^5N)nitrate
• IUPAC Traditional name: calcium di(^1^5N)nitrate
• Synonyms: Calcium nitrate-15N2; 硝酸钙-15N2

Database IDs

• CAS Number: 31432-44-7
• MDL Number: MFCD00084203
• PubChem SID: 24871966; 162232488; 24872396; 24872395
• PubChem CID: 16213265

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: 561 °C(lit.)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Oxidising (O)
• UN Number: 1454
• German water hazard class: 1
• Hazard Class: 5.1
• Packing Group: 3
• Risk Statements: 8
• GHS Pictograms: GHS03
• GHS Signal Word: Warning
• GHS Hazard statements: H272
• GHS Precautionary statements: P220
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1454 5.1/PG 3

Product Information

• Isotopic Purity: 10 atom % 15N; 5 atom % 15N; 99 atom % 15N
• Mol. Weight: mol wt 164.18 by atom % calculation; mol wt 164.28 by atom % calculation; mol wt 166.06 by atom % calculation
• Linear Formula: Ca(15NO3)2

DETAILS

Sigma Aldrich - 488410

Packaging
1 g in glass bottle
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.

Sigma Aldrich - 488402

Packaging
25 g in poly bottle
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.

Sigma Aldrich - 486078

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.