Showing Compound Ammonium chloride ((NH4)Cl) (FDB013385)

Record Information

Version

1.0

Creation date

2010-04-08 22:10:41 UTC

Update date

2015-07-20 22:58:34 UTC

Primary ID

FDB013385

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Ammonium chloride ((NH4)Cl)

Description

Ammonium chloride, also known as [NH4]CL or conclyte-a, belongs to the class of inorganic compounds known as other non-metal halides. These are inorganic compounds containing 'other non-metals' and halogen. Ammonium chloride is an extremely strong acidic compound (based on its pKa). Ammonium chloride is an odorless tasting compound.

CAS Number

12125-02-9

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
[NH4]CL	ChEBI
Ammoniumchlorid	ChEBI
Azanium chloride	ChEBI
NH4CL	ChEBI
Conclyte-a	Kegg
Ammoniac, sal	MeSH
Sal ammoniac	MeSH
Chloride, ammonium	MeSH
(NH4)Cl	biospider
[NH4]Cl	biospider
Amchlor	db_source
Ammon chlor	biospider
Ammonchlor	biospider
Ammoneric	biospider
AmmonII chloridum	biospider
Ammonium chloratum	biospider
Ammonium chloride	biospider
Ammonium chloride ((NH4)Cl)	biospider
Ammonium chloride (jan/usp)	biospider
Ammonium chloride (NH4)(HCl2))	biospider
Ammonium chloride [usan]	biospider
Ammonium chloride fume	biospider
Ammonium muriate	db_source
Ammonium uriate	biospider
Ammoniumklorid	biospider
Chlorammonic	biospider
Chloramon	biospider
Chlorid amonny	biospider
Cloruro de amonio	biospider
Conclyte-a (TN)	biospider
Darammon	db_source
Elektrolyt	biospider
Gen-diur (spain)	biospider
Katapone VV-328	biospider
Muriate of ammonia	biospider
NH4Cl	biospider
PV tussin syrup	biospider
pyrrolidine, 2,5-dimethyl-, (2R,5S)-	biospider
Quaternary ammonium chloride	biospider
Sal ammonia	biospider
Salammonite	biospider
Salmiac	db_source

Predicted Properties

Property	Value	Source
Water Solubility	124 g/L	ALOGPS
logP	-0.21	ALOGPS
logP	0.61	ChemAxon
logS	0.37	ALOGPS
pKa (Strongest Acidic)	-7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	5.62 m³·mol⁻¹	ChemAxon
Polarizability	2.39 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

ClH4N

IUPAC name

ammonium chloride

InChI Identifier

InChI=1S/ClH.H3N/h1H;1H3

InChI Key

NLXLAEXVIDQMFP-UHFFFAOYSA-N

Isomeric SMILES

[NH4+].[Cl-]

Average Molecular Weight

53.49

Monoisotopic Molecular Weight

53.0032268

Classification

Description

Belongs to the class of inorganic compounds known as other non-metal halides. These are inorganic compounds containing 'other non-metals' and halogen.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Other non-metal halides

Sub Class

Not Available

Direct Parent

Other non-metal halides

Alternative Parents

Inorganic chloride salts

Substituents

Other non-metal halide
Inorganic chloride salt
Inorganic salt

Molecular Framework

Not Available

External Descriptors

ammonium salt (CHEBI:31206 )
inorganic chloride (CHEBI:31206 )

Ontology

Disposition

Source:

Food

Role

Industrial application:

Pharmaceutical industry:

Pharmaceutical

Biological role:

Nutrient

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	Cl 66.28%; H 7.54%; N 26.19%	DFC
Melting Point	338 oC
Boiling Point	Not Available
Experimental Water Solubility	372 mg/mL at 20 oC	DEAN,JA (1985)
Experimental logP	Not Available
Experimental pKa	Not Available
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Not Available

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-9000000000-8d25b46861c83665a52b	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-9000000000-8d25b46861c83665a52b	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-9000000000-8d25b46861c83665a52b	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-9000000000-16f3c470e6167c254fea	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-9000000000-16f3c470e6167c254fea	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0udi-9000000000-16f3c470e6167c254fea	2016-08-03	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

Not Available

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

25517

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB34824

CRC / DFC (Dictionary of Food Compounds) ID

HTX57-G:HTX57-G

EAFUS ID

175

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

rw1097711

SuperScent ID

Not Available

Wikipedia ID

Not Available

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Flavor	Citations
odorless	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference