Chemical substance record

Urea

57-13-6CH₄N₂O60.056 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A carbonyl group with two C-bound amine groups. The commercially available fertilizer has an analysis of 46-0-0 (N-P2O5-K2O). — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	57-13-6	ChEBI ↗
Molecular formula	CH₄N₂O	ChEBI ↗
Molar mass	60.056 g/mol	ChEBI ↗
Monoisotopic mass	60.03236 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:16199	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	60.056 g/mol	PubChem ↗
Exact mass	60.032362755 Da	PubChem ↗
Computed XLogP	-1.4	PubChem ↗
Topological polar surface area (Å²)	69.1	PubChem ↗
H-bond donors	2	PubChem ↗
H-bond acceptors	1	PubChem ↗
Rotatable bonds	0	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

urea

IUPAC name

urea

InChIKey

XSQUKJJJFZCRTK-UHFFFAOYSA-N

SMILES

NC(N)=O

InChI

InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)

Names & synonyms

carbamide

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

monocarboxylic acid amideChEBI parent class · 29347 ↗one-carbon compoundChEBI parent class · 64708 ↗

organic molecular entity

Roles recorded in ChEBI

fertilizeranalgesichypoglycemic agentantineoplastic agentdermatologic drugantipsoriaticflour treatment agentmouse metaboliteSaccharomyces cerevisiae metaboliteEscherichia coli metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.0166511 mol

Uses 60.056 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

N

Nitrogen · 2 atoms

46.65%

O

Oxygen · 1 atom

26.64%

C

Carbon · 1 atom

20.00%

H

Hydrogen · 4 atoms

6.71%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Endogenous urea as an autacoid: extrarenal and renal focuses. ↗Autonomic neuroscience : basic & clinical · 2008 Feb 29 · PMID 18037357

Annotation of the human adult urinary metabolome and metabolite identification using ultra high performance liquid chromatography coupled to a linear quadrupole ion trap-Orbitrap mass spectrometer. ↗Analytical chemistry · 2012 Aug 7 · PMID 22770225

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:16199

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 1176 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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