calcium tetrahydrate di(15N)nitrate

• ChemBase ID: 135387
• Molecular Formular: CaH8N2O10
• Molecular Mass: 238.1357378
• Monoisotopic Mass: 237.97455523
• SMILES: [15N+](=O)([O-])[O-].[15N+](=O)([O-])[O-].O.O.O.O.[Ca+2]
• Canonical SMILES: [O-][15N+](=O)[O-].[O-][15N+](=O)[O-].O.O.O.O.[Ca+2]
• InChI: InChI=1S/Ca.2NO3.4H2O/c;2*2-1(3)4;;;;/h;;;4*1H2/q+2;2*-1;;;;/i;2*1+1
• InChIKey: ICSSIKVYVJQJND-MTPOANLSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium tetrahydrate di(^1^5N)nitrate
• IUPAC Traditional name: calcium tetrahydrate di(^1^5N)nitrate
• Synonyms: Calcium nitrate-15N2 tetrahydrate; 硝酸钙-15N2 四水合物

Database IDs

• MDL Number: MFCD04118240
• PubChem SID: 162229661
• PubChem CID: 71309259

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: 44 °C(lit.)
• Density: 1.876 g/mL at 25 °C
• 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
• RID/ADR: UN 1454 5.1/PG 3

Product Information

• Isotopic Purity: 10 atom % 15N
• Mol. Weight: mol wt 238.12 by atom % calculation
• Linear Formula: Ca(15NO3)2 · 4H2O

DETAILS

Sigma Aldrich - 609366

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.