Methylurea

HCID 11719
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Basic information

CAS
598-50-5
Standard SMILES
CNC(N)=O
InChIKey
XGEGHDBEHXKFPX-UHFFFAOYSA-N
Molecular formula
C2H6N2O
Average molar mass
74.08 g/mol
Monoisotopic mass
74.04801281

Overview

N-methyl urea is a member of the class of ureas that is urea substituted by a methyl group at one of the nitrogen atoms.

Names & identifiers

Preferred name
Methylurea
IUPAC
methylurea
English name
Methylurea
Molecular formula
C2H6N2O
Molecular weight
74.08

Names & synonyms

METHYLUREA1-MethylureaN-Methylurea598-50-5MonomethylureaUrea, methyl-Methyl ureaurea, N-methyl-MethylmocovinaMethylharnstoffVZ89YBW3P8DTXSID5060510
Show more names
Linaint-ACH3NHCONH2methyl-ureMethytureaurea,methyl-Methylurea 250
RefChem:818755DTXCID4042703209-935-0N-methyl ureaMFCD000079501-Methylurea;1-MethylureaMethylharnstoff [German]Methylmocovina [Czech]

Database identifiers

CAS
598-50-5
PubChem CID
11719
DTXSID
DTXSID5060510
ChEBI
CHEBI:44383
UNII
VZ89YBW3P8
EC Number
209-935-0
Nikkaji
J2.718I

Properties

Computed structural properties

XLogP
-1.4
Topological polar surface area
55.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
5

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Urea Compounds
SpringerMaterials PropertiesBoiling point
Vapor Pressure1.09 [mmHg]
Physical DescriptionCrystalline solid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
93 °C · ~93 °C
Boiling point
131.34 °C · 131.34°C (rough estimate)
Density
1.204 · 1.2040
vapor pressure
0.003 · 0.003-0.005Pa at 20-23.3℃
refractive index
1.4264 · 1.4264 (estimate)
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 99.1% (114 of 115) of all reports.

Not Classified

Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Urea, methyl-

Status: Active Update: 20-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11080

Methylurea: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryCauses general anesthesia and convulsions in parenteral lethal-dose studies of mice; [RTECS] An irritant; Risk of irreversible adverse health effects; [Alfa Aesar MSDS] See 1,3-Diethylurea.
Hazard Classes and CategoriesNot Classified

Toxicology

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
rtecs
YT7175000
hs_code
29241900
risk_code
22-68-37-20/21/22

Chemistry & industry

Uses & manufacturing

UsesUsed as an intermediate; [ExPub: ECHA REACH Registrations]
Household ProductsInformation on 14 consumer products that contain Methylurea in the following categories is provided:
General Manufacturing InformationUrea, N-methyl-: ACTIVE

Applications

UsesN-Methylurea is used as a reagent in the synthesis of bis(aryl)(hydroxyalkyl)(methyl)glycoluril derivatives and is a potential byproduct of caffeine.

Upstream & downstream products

Downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南新坐标科技发展有限公司0531-88870058 13188878598

Additional notes

DefinitionChEBI: A member of the class of ureas that is urea substituted by a methyl group at one of the nitrogen atoms.

Related reactions

155 records
New reaction record

Compound notes

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