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Copper, bis[N-(hydroxy-kappaO)-N-(nitroso-kappaO)cyclohexanaminato]-

PubChem CID
85031
Structure
Copper, bis[N-(hydroxy-kappaO)-N-(nitroso-kappaO)cyclohexanaminato]-_small.png
Copper, bis[N-(hydroxy-kappaO)-N-(nitroso-kappaO)cyclohexanaminato]-_3D_Structure.png
Molecular Formula
Synonyms
  • 15627-09-5
  • Copper, bis[N-(hydroxy-.kappa.O)-N-(nitroso-.kappa.O)cyclohexanaminato]-
  • DTXSID0048054
  • NS00020075
  • NS00126771
Molecular Weight
349.87 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
  • Create:
    2005-08-08
  • Modify:
    2025-01-04

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Copper, bis[N-(hydroxy-kappaO)-N-(nitroso-kappaO)cyclohexanaminato]-.png

1.2 3D Conformer

3D Conformer of Parent

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

copper;N-cyclohexyl-N-oxidonitrous amide
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)

2.1.2 InChI

InChI=1S/2C6H11N2O2.Cu/c2*9-7-8(10)6-4-2-1-3-5-6;/h2*6H,1-5H2;/q2*-1;+2
Computed by InChI 1.07.0 (PubChem release 2024.11.20)

2.1.3 InChIKey

BXTSRHKBFMGKFB-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)

2.1.4 SMILES

C1CCC(CC1)N(N=O)[O-].C1CCC(CC1)N(N=O)[O-].[Cu+2]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

C12H22CuN4O4
Computed by PubChem 2.2 (PubChem release 2024.11.20)

2.3 Other Identifiers

2.3.1 CAS

2.3.2 Deprecated CAS

10192-52-6

2.3.3 European Community (EC) Number

2.3.4 DSSTox Substance ID

2.3.5 Nikkaji Number

2.3.6 Wikidata

2.4 Synonyms

2.4.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
349.87 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
349.093702 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
349.093702 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
111Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
21
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
112
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2011.04.04)

5 Safety and Hazards

5.1 Hazards Identification

5.1.1 GHS Classification

Pictogram(s)
Flammable
Corrosive
Irritant
Health Hazard
Environmental Hazard
Signal
Danger
GHS Hazard Statements

H228: Flammable solid [Danger Flammable solids]

H302: Harmful if swallowed [Warning Acute toxicity, oral]

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes

P210, P240, P241, P260, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P319, P330, P370+P378, P391, and P501

(The corresponding statement to each P-code can be found at the GHS Classification page.)

5.1.2 Hazard Classes and Categories

Flammable solid - category 1

Acute toxicity (ingestion) - category 4

Specific target organ toxicity (repeated exposure) - category 2

Eye damage - category 1

Hazardous to the aquatic environment (acute) - category 1

Hazardous to the aquatic environment (chronic) - category 1

6 Classification

6.1 UN GHS Classification

6.2 NORMAN Suspect List Exchange Classification

6.3 EPA DSSTox Classification

6.4 EPA Substance Registry Services Tree

7 Information Sources

  1. CAS Common Chemistry
    LICENSE
    The data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.
    https://creativecommons.org/licenses/by-nc/4.0/
    Bis[N-(hydroxy-κO)-N-(nitroso-κO)cyclohexanaminato]copper
    https://commonchemistry.cas.org/detail?cas_rn=15627-09-5
  2. EPA DSSTox
    Copper(2+) bis(1-cyclohexyl-2-oxohydrazin-1-olate)
    https://comptox.epa.gov/dashboard/DTXSID0048054
    CompTox Chemicals Dashboard Chemical Lists
    https://comptox.epa.gov/dashboard/chemical-lists/
  3. European Chemicals Agency (ECHA)
    LICENSE
    Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
    https://echa.europa.eu/web/guest/legal-notice
    Bis(N-hydroxy-N-nitrosocyclohexylaminato-O,O')copper
    https://echa.europa.eu/substance-information/-/substanceinfo/100.036.079
  4. Hazardous Chemical Information System (HCIS), Safe Work Australia
  5. Japan Chemical Substance Dictionary (Nikkaji)
  6. Wikidata
    bis(1-cyclohexyl-1-(hydroxy-kappao)-2-(oxo-kappao)hydrazinato)copper
    https://www.wikidata.org/wiki/Q27278118
  7. PubChem
  8. GHS Classification (UNECE)
  9. NORMAN Suspect List Exchange
    LICENSE
    Data: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0
    https://creativecommons.org/licenses/by/4.0/
    NORMAN Suspect List Exchange Classification
    https://www.norman-network.com/nds/SLE/
  10. EPA Substance Registry Services
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