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14240-12-1 molecular structure
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cobalt(3+) ion bis(ethane-1,2-diamine) nitrate dinitrite

ChemBase ID: 152890
Molecular Formular: C4H16CoN7O7
Molecular Mass: 333.14574
Monoisotopic Mass: 333.04431589
SMILES and InChIs

SMILES:
C(CN)N.C(CN)N.N(=O)[O-].N(=O)[O-].[N+](=O)([O-])[O-].[Co+3]
Canonical SMILES:
[O-][N+](=O)[O-].NCCN.NCCN.[O-]N=O.[O-]N=O.[Co+3]
InChI:
InChI=1S/2C2H8N2.Co.NO3.2HNO2/c2*3-1-2-4;;2-1(3)4;2*2-1-3/h2*1-4H2;;;2*(H,2,3)/q;;+3;-1;;/p-2
InChIKey:
SXOWHZGOECKXMD-UHFFFAOYSA-L

Cite this record

CBID:152890 http://www.chembase.cn/molecule-152890.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cobalt(3+) ion bis(ethane-1,2-diamine) nitrate dinitrite
IUPAC Traditional name
cobalt(3+) ion bis(ethylenediamine) nitrate dinitrite
Synonyms
trans-Dinitrobis(ethylenediamine)cobalt(III) nitrate
反-二硝基二(乙烯二胺)钴(III)硝酸酯
CAS Number
14240-12-1
MDL Number
MFCD04039952
PubChem SID
24880830
162247033
PubChem CID
16217314

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
575887 external link Add to cart Please log in.
Data Source Data ID
PubChem 16217314 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.91292  LogD (pH = 7.4) -3.7797713 
Log P -1.4224427  Molar Refractivity 17.8686 cm3
Polarizability 7.4730473 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
253 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Empirical Formula (Hill Notation)
C4H16CoN7O7 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 575887 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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