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Showing NP-Card for Manganese(II) chloride (MnCl2) (NP0337554)

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Record Information
Version2.0
Created at2024-09-11 11:21:41 UTC
Updated at2024-09-11 11:21:42 UTC
NP-MRD IDNP0337554
Secondary Accession NumbersNone
Natural Product Identification
Common NameManganese(II) chloride (MnCl2)
Description Manganese(II) chloride (MnCl2) was first documented in 1974 (PMID: 4476198).
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0337554 (Manganese(II) chloride (MnCl2))


  Mrv0541 02241217522D          

  3  0  0  0  0  0            999 V2000
  -41.3933  -22.9501    0.0000 Mn  0  2  0  0  0  0  0  0  0  0  0  0
  -41.3933   68.9429    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   41.3933  -68.9429    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
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3D MOL for NP0337554 (Manganese(II) chloride (MnCl2))

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3D SDF for NP0337554 (Manganese(II) chloride (MnCl2))

  Mrv0541 02241217522D          

  3  0  0  0  0  0            999 V2000
  -41.3933  -22.9501    0.0000 Mn  0  2  0  0  0  0  0  0  0  0  0  0
  -41.3933   68.9429    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   41.3933  -68.9429    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <DATABASE_ID>
NP0337554

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Cl-].[Cl-].[Mn++]

> <INCHI_IDENTIFIER>
InChI=1S/2ClH.Mn/h2*1H;/q;;+2/p-2

> <INCHI_KEY>
GLFNIEUTAYBVOC-UHFFFAOYSA-L

> <FORMULA>
Cl2Mn

> <MOLECULAR_WEIGHT>
125.844

> <EXACT_MASS>
124.87575505

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
manganese(2+) ion dichloride

> <JCHEM_LOGP>
-0.156

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.000000000000001

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
manganese(2+) ion dichloride

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0337554 (Manganese(II) chloride (MnCl2))
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PDB for NP0337554 (Manganese(II) chloride (MnCl2))
HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1 Mn   UNK     0     -77.267 -42.840   0.000  0.00  0.00          Mn+2
HETATM    2 Cl   UNK     0     -77.267 128.693   0.000  0.00  0.00          Cl-1
HETATM    3 Cl   UNK     0      77.267-128.693   0.000  0.00  0.00          Cl-1
MASTER        0    0    0    0    0    0    0    0    3    0    0    0
END

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3D PDB for NP0337554 (Manganese(II) chloride (MnCl2))
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SMILES for NP0337554 (Manganese(II) chloride (MnCl2))
[Cl-].[Cl-].[Mn++]
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INCHI for NP0337554 (Manganese(II) chloride (MnCl2))
InChI=1S/2ClH.Mn/h2*1H;/q;;+2/p-2
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View in JSmol
Synonyms
ValueSource
Dichlorure de manganeseChEBI
MangandichloridChEBI
Manganese bichlorideChEBI
Manganese(II) chloride (1:2)ChEBI
Manganese(II) dichlorideChEBI
Manganous chlorideChEBI
Manganous dichlorideChEBI
Chemical FormulaCl2Mn
Average Mass125.8440 Da
Monoisotopic Mass124.87576 Da
IUPAC Namemanganese(2+) ion dichloride
Traditional Namemanganese(2+) ion dichloride
CAS Registry NumberNot Available
SMILES
[Cl-].[Cl-].[Mn++]
InChI Identifier
InChI=1S/2ClH.Mn/h2*1H;/q;;+2/p-2
InChI KeyGLFNIEUTAYBVOC-UHFFFAOYSA-L
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as transition metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a transition metal.
KingdomInorganic compounds  
Super ClassMixed metal/non-metal compounds  
ClassTransition metal salts  
Sub ClassTransition metal chlorides  
Direct ParentTransition metal chlorides  
Alternative Parents
Substituents
  • Transition metal chloride
    • 

  • Inorganic chloride salt
    • 

  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.16ChemAxon
pKa (Strongest Acidic)-7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB013413  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDCPD0-2394  
BiGG IDNot Available
Wikipedia LinkManganese(II)_chloride  
METLIN IDNot Available
PubChem Compound24480  
PDB IDNot Available
ChEBI ID63041  
Good Scents IDNot Available
References
General References
  1. Odugbemi TO, McEntegart MG, Hafiz S: A simple manganous chloride and Congo red disc method for differentiating Neisseria gonorrhoeae from Neisseria meningitidis. J Clin Pathol. 1978 Oct;31(10):936-8. doi: 10.1136/jcp.31.10.936. [PubMed:101555  ] 
  2. Buthieau AM, Autissier N: [The effect of Mn2+ on thyroid iodine metabolism in rats]. C R Seances Soc Biol Fil. 1977;171(5):1024-8. [PubMed:146543  ] 
  3. Mittag TW, Tormay A, Podos SM: Manganous chloride stimulation of adenylate cyclase responsiveness in ocular ciliary process membranes. Exp Eye Res. 1988 Jun;46(6):841-51. doi: 10.1016/s0014-4835(88)80036-8. [PubMed:3143594  ] 
  4. Biano SA, Chang TW, Daniels JB: Rubella hemagglutination inhibition: removal of nonspecific agglutination due to manganous chloride. Appl Microbiol. 1974 Dec;28(6):992-4. doi: 10.1128/am.28.6.992-994.1974. [PubMed:4476198  ]