calcium (15N)nitric acid (15N)amine di(15N)nitrate

• ChemBase ID: 135888
• Molecular Formular: CaH4N4O9
• Molecular Mass: 248.10479559
• Monoisotopic Mass: 247.94855828
• SMILES: [15NH3].[15N+](=O)(O)[O-].[15N+](=O)([O-])[O-].[15N+](=O)([O-])[O-].[Ca+2]
• Canonical SMILES: [O-][15N+](=O)[O-].[O-][15N+](=O)[O-].[O-][15N+](=O)O.[15NH3].[Ca+2]
• InChI: InChI=1S/Ca.HNO3.2NO3.H3N/c;3*2-1(3)4;/h;(H,2,3,4);;;1H3/q+2;;2*-1;/i;4*1+1
• InChIKey: QGPZBKDRJAXSRG-NJJOSUKLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium (^1^5N)nitric acid (^1^5N)amine di(^1^5N)nitrate
• IUPAC Traditional name: calcium (^1^5N)nitric acid (^1^5N)amine di(^1^5N)nitrate
• Synonyms: Ammonium-15N calcium nitrate-15N3; 铵-15N 钙 硝酸-15N3

Database IDs

• PubChem SID: 162230159
• PubChem CID: 71309465

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3479722
• LogD (pH = 7.4): -2.3479848
• Log P: 0.028413763
• Molar Refractivity: 10.473 cm^3
• Polarizability: 3.677472 Å^3
• Polar Surface Area: 66.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+4

Product Information

• Isotopic Purity: 5 atom % 15N
• Description: Molar Mix 1:1
• Mol. Weight: mol wt 244.32 by atom % calculation
• Linear Formula: 15NH4Ca(15NO3)3

DETAILS

Sigma Aldrich - 609382

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.