Ammonium Formate (CED0000674)

Record Information

Version

1.0

Creation Date

2016-05-19 04:00:14 UTC

Update Date

2026-04-05 17:53:40 UTC

Accession Number

CHEM012699

Identification

Common Name

Ammonium Formate

Class

Small Molecule

Description

Ammonium Formate (CH5NO2) is an organic compound with an average molecular weight of 63.06 g/mol. Ammonium Formate belongs to the carboxylic acids, a subclass of carboxylic acids and derivatives within the organic compounds. This substance is found in or released from two recorded sources, specifically antennas and adjustable resistors used in electrical and electronic equipment.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Ammonium formiate	ChEBI
Formic acid ammonium salt	ChEBI
Formic acid, ammonium salt	ChEBI
Formic acid, ammonium salt (1:1)	ChEBI
Ammonium formiic acid	Generator
Formate ammonium salt	Generator
Formate, ammonium salt	Generator
Formate, ammonium salt (1:1)	Generator
Ammonium formic acid	Generator
Azane;formate	Generator

Chemical Formula

CH₅NO₂

Average Molecular Mass

63.056 g/mol

Monoisotopic Mass

63.032 g/mol

CAS Registry Number

540-69-2

IUPAC Name

formic acid amine

Traditional Name

formic acid amine

SMILES

N.OC=O

InChI Identifier

InChI=1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3

InChI Key

VZTDIZULWFCMLS-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acids

Direct Parent

Carboxylic acids

Alternative Parents

Substituents

Monocarboxylic acid or derivatives
Carboxylic acid
Organic nitrogen compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

ammonium salt (CHEBI:63050 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	477 g/L	ALOGPS
logP	-0.47	ALOGPS
logP	-0.27	ChemAxon
logS	1.02	ALOGPS
pKa (Strongest Acidic)	4.27	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	8.15 m³·mol⁻¹	ChemAxon
Polarizability	3.37 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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-9000000000-05d0535212e017875bd9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-9000000000-05d0535212e017875bd9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-9000000000-05d0535212e017875bd9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-9000000000-2379f4f6a72e53788aee	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-9000000000-2379f4f6a72e53788aee	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-9000000000-2379f4f6a72e53788aee	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
737.0	Log mg/kg	[410:1300]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
504	Adjustable Resistors	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	1-deoxy-D-xylulose 5-phosphate reductoisomerase, chloroplastic	Q9XFS9	Arabidopsis thaliana	Predicted (SEA)	8.40772
Click to view 3D structure	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Q55663	Synechocystis sp. (strain PCC 6803 / Kazusa)	Predicted (SEA)	8.40772
Click to view 3D structure	All-trans-retinol dehydrogenase [NAD(+)] ADH1B	P00325	Humans	Predicted (SEA)	19.1509
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	7641.52
Click to view 3D structure	Catechol O-methyltransferase	Q99028	Sus scrofa	Predicted (SEA)	146.901
Click to view 3D structure	Proline racemase	Q9L4Q3	Clostridium sticklandii	Predicted (SEA)	59.0097
Click to view 3D structure	All-trans-retinol dehydrogenase [NAD(+)] ADH7	P40394	Humans	Predicted (SEA)	122.846
Click to view 3D structure	Alcohol dehydrogenase 1A	P07327	Humans	Predicted (SEA)	126.505
Click to view 3D structure	Phosphoheptose isomerase	Q93UJ2	Burkholderia pseudomallei (strain K96243)	Predicted (SEA)	15.4141
Click to view 3D structure	All-trans-retinol dehydrogenase [NAD(+)] ADH4	P08319	Humans	Predicted (SEA)	213.385
Click to view 3D structure	Succinate-semialdehyde dehydrogenase, mitochondrial	P51649	Humans	Predicted (SEA)	658.137
Click to view 3D structure	3-isopropylmalate dehydrogenase	Q5SIY4	Thermus thermophilus	Predicted (SEA)	39.3139
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	5451.0
Click to view 3D structure	Histidine biosynthesis bifunctional protein HisB	P06987	Escherichia coli O26:H11 str. CFSAN001629	Predicted (SEA)	507.577
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7776.12
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	7770.52
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	7753.63
Click to view 3D structure	Glutamate receptor ionotropic, kainate 4	Q01812	Rattus norvegicus	Predicted (SEA)	200.072
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	7730.66
Click to view 3D structure	Type IV secretion-like conjugative transfer relaxase protein TraI	B1LRJ1	Escherichia coli (strain SMS-3-5 / SECEC)	Predicted (SEA)	10.6653
Click to view 3D structure	Fumarate hydratase, mitochondrial	P10173	Sus scrofa	Predicted (SEA)	57.0635
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	7758.3
Click to view 3D structure	Alcohol dehydrogenase 1C	P00326	Humans	Predicted (SEA)	153.597
Click to view 3D structure	Sortase A	Q8CM62	Streptococcus mutans	Predicted (SEA)	2033.42
Click to view 3D structure	Sodium- and chloride-dependent betaine transporter	P48065	Humans	Predicted (SEA)	1828.6