cobalt(3+) ion tris(ethane-1,2-diamine) trinitrate

• ChemBase ID: 148160
• Molecular Formular: C6H24CoN9O9
• Molecular Mass: 425.24286
• Monoisotopic Mass: 425.10289339
• SMILES: C(CN)N.C(CN)N.C(CN)N.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Co+3]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].NCCN.NCCN.NCCN.[Co+3]
• InChI: InChI=1S/3C2H8N2.Co.3NO3/c3*3-1-2-4;;3*2-1(3)4/h3*1-4H2;;;;/q;;;+3;3*-1
• InChIKey: MTCFUGCMXQVODX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(3+) ion tris(ethane-1,2-diamine) trinitrate
• IUPAC Traditional name: cobalt(3+) ion tris(ethylenediamine) trinitrate
• Synonyms: Tris(ethylenediamine)cobalt(III) nitrate; 三(乙烯二胺)钴(III)硝酸酯

Database IDs

• CAS Number: 6865-68-5
• MDL Number: MFCD03093905
• PubChem SID: 24877686; 162242337
• PubChem CID: 12059588

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.91292
• LogD (pH = 7.4): -3.7797713
• Log P: -1.4224427
• Molar Refractivity: 17.8686 cm^3
• Polarizability: 7.4730473 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: >250 °C(lit.)

Safety Information

• European Hazard Symbols: Oxidising (O)
• UN Number: 1479
• German water hazard class: 3
• 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 1479 5.1/PG 3

Product Information

• Purity: ≥99.99%
• Linear Formula: (H2NCH2CH2NH2)3Co(NO3)3

DETAILS

Sigma Aldrich - 529532

Packaging
25 g in glass bottle