N-Formylmorpholine (CED0019952)

Record Information

Version

1.0

Creation Date

2016-05-19 03:54:16 UTC

Update Date

2026-08-23 02:55:33 UTC

Accession Number

CHEM012369

Identification

Common Name

N-Formylmorpholine

Class

Small Molecule

Description

N-Formylmorpholine is an organic compound with the chemical formula C5H9NO2 and an average molecular weight of 115.13 g/mol. N-Formylmorpholine belongs to the morpholines, a subclass of oxazinanes within the organic compounds. In industrial applications, the compound is utilized as a solvent. The substance has been identified in six recorded sources. These include household cleaning and consumer products such as bleaching agents, and food, food processing, and cookware, specifically within fermentation processes for beer. It is also found in drinking water and water supply systems, as well as in indoor air, dust, and atmospheric transport. Additionally, it is associated with electrical and electronic equipment, specifically antennas and gas filled discharge tubes with solid cathodes. Recorded exposure routes for N-Formylmorpholine include oral and inhalation pathways.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
4-Morpholinecarboxaldehyde	MeSH

Chemical Formula

C₅H₉NO₂

Average Molecular Mass

115.132 g/mol

Monoisotopic Mass

115.063 g/mol

CAS Registry Number

4394-85-8

IUPAC Name

morpholine-4-carbaldehyde

Traditional Name

N-formylmorpholine

SMILES

O=CN1CCOCC1

InChI Identifier

InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2

InChI Key

LCEDQNDDFOCWGG-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Oxazinanes

Sub Class

Morpholines

Direct Parent

Morpholines

Alternative Parents

Substituents

Morpholine
Tertiary carboxylic acid amide
Carboxamide group
Carboxylic acid derivative
Dialkyl ether
Ether
Oxacycle
Azacycle
Carbonyl group
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

morpholines (CHEBI:43989 )

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	1280 g/L	ALOGPS
logP	-1	ALOGPS
logP	-0.85	ChemAxon
logS	1.05	ALOGPS
pKa (Strongest Basic)	-1.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	29.54 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	28.84 m³·mol⁻¹	ChemAxon
Polarizability	11.43 Å³	ChemAxon
Number of Rings	1	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	splash10-014i-1900000000-479e9471827dda3d5c72	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-3900000000-2f33a7161c45acde0e76	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052e-9000000000-705a7252db54d81d36e5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-1900000000-eae4f96defdfd888cdb6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dl-9500000000-9052670d513859821c48	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-f884b1b75a40b908954d	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
2074.0	Log mg/kg	[1200:3700]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
19	Indoor air	Air, dust & atmospheric transport	Not Available
115	Drinking water	Drinking water & water supply	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
596	Acaricides	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	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	Dual specificity protein phosphatase	Q7T2L8	Danio rerio	Predicted (SEA)	4.98235
Click to view 3D structure	DNA-dependent protein kinase catalytic subunit	P78527	Humans	Predicted (SEA)	430.584
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	P42336	Humans	Predicted (SEA)	2120.92
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	P42338	Humans	Predicted (SEA)	1610.62
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	O00329	Humans	Predicted (SEA)	1875.31
Click to view 3D structure	Acetyl-CoA carboxylase	Q3V4E6	Zea mays	Predicted (SEA)	10.7432
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	P48736	Humans	Predicted (SEA)	3110.93
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	5551.9
Click to view 3D structure	Serine/threonine-protein kinase mTOR	P42345	Humans	Predicted (SEA)	3082.98
Click to view 3D structure	DNA-dependent protein kinase catalytic subunit	P97313	Mus musculus	Predicted (SEA)	87.5025
Click to view 3D structure	Protein kinase C gamma type	P05129	Humans	Predicted (SEA)	4815.99
Click to view 3D structure	Apoptotic protease-activating factor 1	O14727	Humans	Predicted (SEA)	1015.23
Click to view 3D structure	Serine-protein kinase ATM	Q13315	Humans	Predicted (SEA)	1024.65
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	3050.52
Click to view 3D structure	Protein kinase C beta type	P05771	Humans	Predicted (SEA)	2250.85
Click to view 3D structure	Tumor necrosis factor receptor superfamily member 16	Q9Z0W1	Mus musculus	Predicted (SEA)	55.6622
Click to view 3D structure	Lysosomal acid lipase/cholesteryl ester hydrolase	P38571	Humans	Predicted (SEA)	30.2055
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	5440.73
Click to view 3D structure	Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta	O00750	Humans	Predicted (SEA)	3287.18
Click to view 3D structure	B-cell lymphoma 3 protein	P20749	Humans	Predicted (SEA)	521.745
Click to view 3D structure	Platelet-derived growth factor receptor beta	P09619	Humans	Predicted (SEA)	6018.6
Click to view 3D structure	Protein kinase C epsilon type	Q02156	Humans	Predicted (SEA)	3835.94
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	P42337	Mus musculus	Predicted (SEA)	666.779
Click to view 3D structure	Hexokinase HKDC1	Q2TB90	Humans	Predicted (SEA)	1475.71
Click to view 3D structure	Phosphatidylinositol 3-kinase regulatory subunit beta	O00459	Humans	Predicted (SEA)	590.876