Record Information
Version1.0
Creation date2010-04-08 22:11:11 UTC
Update date2015-07-20 23:06:17 UTC
Primary IDFDB014284
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameAmmonium carbonate
DescriptionUsed in baking powder Ammonium carbonate is the commercial salt, formerly known as sal volatile or salt of hartshorn. Ammonium carbonate is used when crushed as a smelling salt. It can be crushed when needed in order to revive someone who has fainted. It is also known as "baker's ammonia" and was a forerunner to the more modern leavening agents baking soda and baking powder.
CAS Number10361-29-2
Structure
Thumb
Synonyms
SynonymSource
Carbonic acid ammonium saltdb_source
Diammonium carbonatedb_source
E503(i)db_source
Hartshorndb_source
Sal volatiledb_source
Predicted Properties
PropertyValueSource
Water Solubility756 g/LALOGPS
logP-0.53ALOGPS
logP0.25ChemAxon
logS0.9ALOGPS
pKa (Strongest Acidic)6.05ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area63.19 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity31.17 m³·mol⁻¹ChemAxon
Polarizability3.52 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaCH8N2O3
IUPAC namediammonium carbonate
InChI IdentifierInChI=1S/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3
InChI KeyInChIKey=PRKQVKDSMLBJBJ-UHFFFAOYSA-N
Isomeric SMILES[NH4+].[NH4+].[O-]C([O-])=O
Average Molecular Weight96
Monoisotopic Molecular Weight96
Classification
DescriptionThis compound belongs to the class of chemical entities known as organic carbonic acids. These are compounds comprising the carbonic acid functional group.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganic acids and derivatives
Sub ClassOrganic carbonic acids and derivatives
Direct ParentOrganic carbonic acids
Alternative Parents
Substituents
  • Carbonic acid
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 12.50%; H 8.39%; N 29.15%; O 49.95%DFC
Melting PointMp 58° dec.DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9000000000-0f825c11907e2f61a99cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-a0be5d1ffe2fda1dad98View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-a0be5d1ffe2fda1dad98View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-a0be5d1ffe2fda1dad98View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-4accecba5c76c0327bb3View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-4accecba5c76c0327bb3View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-9000000000-4accecba5c76c0327bb3View in MoNA
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB35592
CRC / DFC (Dictionary of Food Compounds) IDJPD43-X:JPD43-X
EAFUS ID173
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDAmmonium_carbonate
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference