cerium(3+) ion diammonium tetrahydrate pentanitrate

• ChemBase ID: 110247
• Molecular Formular: CeH16N7O19
• Molecular Mass: 558.27854
• Monoisotopic Mass: 557.95553433
• SMILES: [NH4+].[NH4+].O.O.O.O.[Ce+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[NH4+].[NH4+].O.O.O.O.[Ce+3]
• InChI: InChI=1S/Ce.5NO3.2H3N.4H2O/c;5*2-1(3)4;;;;;;/h;;;;;;2*1H3;4*1H2/q+3;5*-1;;;;;;/p+2
• InChIKey: MUUZQJVCOSXKMS-UHFFFAOYSA-P

NAMES AND DATABASE IDS

Names

• IUPAC name: cerium(3+) ion diammonium tetrahydrate pentanitrate; cerium(3+) ion diammonium pentakis(nitrooxidane) tetrahydrate
• IUPAC Traditional name: cerium(3+) ion diammonium tetrahydrate pentanitrate; cerium(3+) diammonium tetrahydrate pentanitronate
• Synonyms: Ammonium cerium(III) nitrate; Cerium(III) ammonium nitrate tetrahydrate, Reagent Grade; CEROUS AMMONIUM NITRATE; 四水合硝酸铵铈(III), 试剂级

Database IDs

• CAS Number: 13083-04-0; 15318-60-2
• MDL Number: MFCD00210608
• PubChem SID: 162096379
• PubChem CID: 10984537

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8368004
• LogD (pH = 7.4): 0.8368004
• Log P: 0.8368004
• Molar Refractivity: 8.3471 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 66.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: UN1477
• Hazard Class: 5.1
• Packing Group: III
• Risk Statements: 8-36/38; R:8
• Safety Statements: 17-26-37-60; S:16-17-26-28
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS07
• GHS Hazard statements: H272-H315-H319
• GHS Precautionary statements: P221-P210-P305+P351+P338-P302+P352-P321-P501A

DETAILS

MP Biomedicals - 05214238

MP Biomedicals Rare Chemical collection