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Ammonium chloride (YMDB01491)

Identification
YMDB IDYMDB01491
NameAmmonium chloride
SpeciesSaccharomyces cerevisiae
StrainBrewer's yeast
DescriptionAmmonium chloride is an inorganic compound with the formula NH4Cl. It is a white crystalline salt that is highly soluble in water. In several countries ammonium chloride is known as sal ammoniac and used as food additive. The E number for ammonium chloride used as a food additive is E510. Ammonium chloride is used to spice up dark sweets called salty liquorice, in baking to give cookies a very crisp texture, and in the flavouring Salmiakki Koskenkorva for vodkas.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
  • Ammoniumchlorid
  • N,N,N-Trimethylmethanaminium chloride
  • Tetramethylammonium chloride
  • [NH4]CL
  • Azanium chloride
  • NH4CL
  • Conclyte-a
  • Ammoniac, sal
  • Sal ammoniac
  • Chloride, ammonium
CAS number12125-02-9
WeightAverage: 53.491
Monoisotopic: 53.00322684
InChI KeyNLXLAEXVIDQMFP-UHFFFAOYSA-N
InChIInChI=1S/ClH.H3N/h1H;1H3
IUPAC Nameammonium chloride
Traditional IUPAC Nameammonium chloride
Chemical FormulaClH4N
SMILES[NH4+].[Cl-]
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as other non-metal halides. These are inorganic compounds containing 'other non-metals' and halogen.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal halides
Sub ClassNot Available
Direct ParentOther non-metal halides
Alternative Parents
Substituents
  • Other non-metal halide
  • Inorganic chloride salt
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateSolid
Charge0
Melting point338 °C
Experimental Properties
PropertyValueReference
Water Solubility372 mg/mL at 20 oC [DEAN,JA (1985)]PhysProp
LogPNot AvailablePhysProp
Predicted Properties
PropertyValueSource
Water Solubility124 g/LALOGPS
logP-0.21ALOGPS
logP0.61ChemAxon
logS0.37ALOGPS
pKa (Strongest Acidic)-7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity5.62 m³·mol⁻¹ChemAxon
Polarizability2.39 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular LocationsNot Available
Organoleptic Properties
Flavour/OdourSource
OdorlessFDB013385
SMPDB PathwaysNot Available
KEGG PathwaysNot Available
SMPDB ReactionsNot Available
KEGG ReactionsNot Available
Concentrations
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-9000000000-8d25b46861c83665a52bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-9000000000-8d25b46861c83665a52bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0udi-9000000000-8d25b46861c83665a52bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-9000000000-16f3c470e6167c254feaJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udi-9000000000-16f3c470e6167c254feaJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0udi-9000000000-16f3c470e6167c254feaJSpectraViewer
References
References:
  • Yannai S. Dictionary of food compounds with CD-ROM: additives, flavors, and ingredients. Chapman & Hall/CRC; 2004.
Synthesis Reference:Not Available
External Links:
ResourceLink
CHEBI ID31206
HMDB IDHMDB0034824
Pubchem Compound ID25517
Kegg IDC11335
ChemSpider ID23807
FOODB IDFDB013385
WikipediaAmmonium_chloride
BioCyc IDNot Available