1-メチル尿素

Methylurea

HCID 11719CAS 598-50-5
部分構造検索類似構造を探す

基本情報

標準SMILES
CNC(N)=O
InChIKey
XGEGHDBEHXKFPX-UHFFFAOYSA-N
分子式
C2H6N2O
平均分子量
74.08 g/mol
単同位体質量
74.04801281

概要

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.

名称と識別子

優先名称
Methylurea
IUPAC
methylurea
現地名
1-メチル尿素
英語名
Methylurea
分子式
C2H6N2O
分子量
74.08

名称と別名

METHYLUREA1-MethylureaN-Methylurea598-50-5MonomethylureaUrea, methyl-Methyl ureaurea, N-methyl-MethylmocovinaMethylharnstoffVZ89YBW3P8DTXSID5060510
名称をさらに表示
1-メチル尿素メチル尿素1-メチルイソ尿素N-メチル尿素モノメチル尿素N‐メチル尿素Linaint-ACH3NHCONH2methyl-ureMethytureaurea,methyl-Methylurea 250
RefChem:818755DTXCID4042703209-935-0N-methyl ureaMFCD000079501-Methylurea;1-MethylureaMethylharnstoff [German]Methylmocovina [Czech]

データベース識別子

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

物性

構造計算による物性

XLogP
-1.4
極性表面積
55.1 Ų
水素結合供与体数
2
水素結合受容体数
1
回転可能結合数
0
重原子数
5

実験および物理化学的性質

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

物理化学的性質

融点
93 °C · ~93 °C
沸点
131.34 °C · 131.34°C (rough estimate)
比重(密度)
1.204 · 1.2040
蒸気圧
0.003 · 0.003-0.005Pa at 20-23.3℃
屈折率
1.4264 · 1.4264 (estimate)
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性white to off-white crystalline solid

安全と法規制

GHS分類

GHS Classification · 3 件

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.

危険有害性情報

Regulatory Information · 3 件

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

毒性情報

Adverse EffectsNeurotoxin - Other CNS neurotoxin

安全データ

wgk
3
tsca
TSCA listed
rtecs
YT7175000
hs_code
29241900
risk_code
22-68-37-20/21/22
化審法
(2)-3254

化学と産業

用途と製造

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

応用分野

用途有機合成原料。

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

調製方法

Methylurea is produced on an industrial scale by passing monomethylamine into a urea melt.

純化方法Crystallise the urea from EtOH/water, then dry it under vacuum at room temperature. [Beilstein 4 IV 205.]

上流・下流製品情報

下流製品

サプライヤー50 社

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

補足説明

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

関連反応

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