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Showing NP-Card for Ammonium hydroxide (NP0338149)

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Record Information
Version2.0
Created at2024-09-11 14:02:59 UTC
Updated at2024-09-11 14:03:00 UTC
NP-MRD IDNP0338149
Secondary Accession NumbersNone
Natural Product Identification
Common NameAmmonium hydroxide
DescriptionAmmonium hydroxide, also known as agua de amoniaco or ammonia aqueous, belongs to the class of inorganic compounds known as non-metal hydroxides. These are inorganic non-metallic compounds containing the hydroxide group as its largest oxoanion. Ammonium hydroxide is a very strong basic compound (based on its pKa). Ammonium hydroxide exists in all living organisms, ranging from bacteria to humans. Ammonium hydroxide was first documented in 2011 (PMID: 21145665). A solution of ammonia in water (PMID: 21375888) (PMID: 21450410) (PMID: 21535717) (PMID: 21535721).
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0338149 (Ammonium hydroxide)


  Mrv0541 02241219542D          

  2  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0018    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
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3D MOL for NP0338149 (Ammonium hydroxide)

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3D SDF for NP0338149 (Ammonium hydroxide)

  Mrv0541 02241219542D          

  2  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0018    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
NP0338149

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[NH4+].[OH-]

> <INCHI_IDENTIFIER>
InChI=1S/H3N.H2O/h1H3;1H2

> <INCHI_KEY>
VHUUQVKOLVNVRT-UHFFFAOYSA-N

> <FORMULA>
H5NO

> <MOLECULAR_WEIGHT>
35.0458

> <EXACT_MASS>
35.037113787

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
2.380178155685953

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ammonium hydroxide

> <JCHEM_LOGP>
-0.9779999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.861981369487705

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
16.3149

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
ammonium hydroxide

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0338149 (Ammonium hydroxide)
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PDB for NP0338149 (Ammonium hydroxide)
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  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+1
HETATM    2  O   UNK     0       1.870   0.000   0.000  0.00  0.00           O-1
MASTER        0    0    0    0    0    0    0    0    2    0    0    0
END

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3D PDB for NP0338149 (Ammonium hydroxide)
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SMILES for NP0338149 (Ammonium hydroxide)
[NH4+].[OH-]
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INCHI for NP0338149 (Ammonium hydroxide)
InChI=1S/H3N.H2O/h1H3;1H2
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View in JSmol
Synonyms
ValueSource
Agua de amoniacoChEBI
Ammonia aqueousChEBI
Ammonia solutionChEBI
Ammonia waterChEBI
AmmoniaqueChEBI
AmmoniumhydroxidChEBI
e527ChEBI
Hidroxido de amonioChEBI
Hydroxyde d'ammoniumChEBI
NH4OHChEBI
Ammonium hydroxideKEGG
Hydroxide, ammoniumMeSH
Chemical FormulaH5NO
Average Mass35.0458 Da
Monoisotopic Mass35.03711 Da
IUPAC Nameammonium hydroxide
Traditional Nameammonium hydroxide
CAS Registry NumberNot Available
SMILES
[NH4+].[OH-]
InChI Identifier
InChI=1S/H3N.H2O/h1H3;1H2
InChI KeyVHUUQVKOLVNVRT-UHFFFAOYSA-N
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 non-metal hydroxides. These are inorganic non-metallic compounds containing the hydroxide group as its largest oxoanion.
KingdomInorganic compounds  
Super ClassHomogeneous non-metal compounds  
ClassNon-metal oxoanionic compounds  
Sub ClassNon-metal hydroxides  
Direct ParentNon-metal hydroxides  
Alternative Parents
Substituents
  • Non-metal hydroxide
    • 

  • Inorganic hydride
    • 

  • Inorganic oxide
    • 

  • 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-0.98ChemAxon
pKa (Strongest Basic)8.86ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity16.31 m³·mol⁻¹ChemAxon
Polarizability2.38 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0034832  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB013396  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC01358  
BioCyc IDNH4OH  
BiGG IDNot Available
Wikipedia LinkAmmonium_hydroxide  
METLIN IDNot Available
PubChem Compound14923  
PDB IDNot Available
ChEBI ID18219  
Good Scents IDNot Available
References
General References
  1. Naveena BM, Sen AR, Muthukumar M, Babji Y, Kondaiah N: Effects of salt and ammonium hydroxide on the quality of ground buffalo meat. Meat Sci. 2011 Apr;87(4):315-20. doi: 10.1016/j.meatsci.2010.11.004. Epub 2010  Nov 13. [PubMed:21145665  ] 
  2. Cerruto-Noya CA, Goad CL, DeWitt CA: Antimicrobial effect of ammonium hydroxide when used as an alkaline agent in the formulation of injection brine solutions. J Food Prot. 2011 Mar;74(3):475-9. doi: 10.4315/0362-028X.JFP-10-343. [PubMed:21375888  ] 
  3. Naveena BM, Kiran M, Reddy KS, Ramakrishna C, Vaithiyanathan S, Devatkal SK: Effect of ammonium hydroxide on ultrastructure and tenderness of buffalo meat. Meat Sci. 2011 Aug;88(4):727-32. doi: 10.1016/j.meatsci.2011.03.005. Epub 2011  Mar 16. [PubMed:21450410  ] 
  4. Parsons AN, VanOverbeke DL, Goad CL, Mireles Dewitt CA: Retail display evaluation of steaks from select beef strip loins injected with a brine containing 1% ammonium hydroxide. Part 1: Fluid loss, oxidation, color, and microbial plate counts. J Food Sci. 2011 Jan-Feb;76(1):S63-71. doi: 10.1111/j.1750-3841.2010.01892.x.  Epub 2010 Nov 10. [PubMed:21535717  ] 
  5. Parsons AN, VanOverbeke DL, Goad CL, Mireles DeWitt CA: Retail display evaluation of steaks from select beef strip loins injected with a brine containing 1% ammonium hydroxide. Part 2: Cook yield, tenderness, and sensory attributes. J Food Sci. 2011 Jan-Feb;76(1):S84-8. doi: 10.1111/j.1750-3841.2010.01903.x. Epub  2010 Nov 18. [PubMed:21535721  ]