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フロラニド

Urea, N-(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-

HCID 95479
ノート反応
基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
1129-42-6
標準SMILES
CC1CC(NC(N)=O)NC(=O)N1
InChIKey
CZAUMIGWDFREBR-UHFFFAOYSA-N
分子式
C6H12N4O2
平均分子量
172.19 g/mol
単同位体質量
172.09602564

名称と識別子

優先名称
Urea, N-(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-
IUPAC
(6-methyl-2-oxo-1,3-diazinan-4-yl)urea
現地名
フロラニド
英語名
6-methyl-2-oxoperhydropyrimidin-4-ylurea
分子式
C6H12N4O2
分子量
172.19

名称と別名

NSC 134036-Methyl-2-oxoperhydropyrimidin-4-ylurea(Hexahydro-6-methyl-2-oxo-4-pyrimidinyl)ureaEINECS 214-447-6NSC 138171EC 214-447-6Urea, N-(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-RefChem:901317214-447-61129-42-61-(6-methyl-2-oxohexahydropyrimidin-4-yl)ureaUrea, (hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-
名称をさらに表示
フロラニド(6-メチル-2-オキソ-1,3-ジアジナン-4-イル)尿素クロトデュール2-オキソ-4-メチル-6-ウレイドヘキサヒドロピリミジン(ヘキサヒドロ-6-メチル-2-オキソピリミジン-4-イル)尿素シクロジウレアフロラニットクロトニリデン二尿素4-メチル-6-ウレイドヘキサヒドロピリミジン-2-オン(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-Urea
(6-methyl-2-oxo-1,3-diazinan-4-yl)urea(6-Methyl-2-oxo-hexahydro-pyrimidin-4-yl)-ureacrotonylidene diureaSCHEMBL2895352DTXSID00883658NSC13403NSC-13403NSC138171

データベース識別子

CAS
1129-42-6
PubChem CID
95479
DTXSID
DTXSID00883658
EC Number
214-447-6
Nikkaji
J563K

物性

構造計算による物性

XLogP
-1.2
極性表面積
96.3 Ų
水素結合供与体数
4
水素結合受容体数
2
回転可能結合数
1
重原子数
12
形式電荷
0
複雑度
206

物理化学的性質

融点
250 °C · 250 °C (decomp)
沸点
454.3 · 454.3±45.0 °C(Predicted)
比重(密度)
1.3 · 1.30±0.1 g/cm3(Predicted)
酸解離定数(Pka)
13.19 · 13.19±0.40(Predicted)
水溶解度
5.065 g/L · 5.065g/L at 20℃
LogP
-1.34 at · -1.34 at 20℃
EPAの化学物質情報
(Hexahydro-6-methyl-2-oxo-4-pyrimidinyl)urea (1129-42-6)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (108 of 108) of all reports.

Not Classified

Aggregated GHS information provided per 108 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: 6-methyl-2-oxoperhydropyrimidin-4-ylurea (EC: 214-447-6)

(Hexahydro-6-methyl-2-oxo-4-pyrimidinyl)urea: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified

安全データ

tsca
TSCA listed

化学と産業

用途と製造

General Manufacturing InformationUrea, N-(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-: ACTIVE

応用分野

使用significantly increases the activity of urease and dehydrogenase soil enzymes as well as yield and quality of banana on inceptisol.

調製方法 · 1 件

6-methyl-2-oxoperhydropyrimidin-4-ylurea, is obtained either by condensation of urea with crotonaldehyde in the presence of acid or by the more straightforward route involving condensation of urea with acetaldehyde in the molar ratio 1 : 1 in the presence of acid, which is used in industry. 2,7-Dioxo-4,5-dimethyldecahydropyrimido[4,5-d]pyrimidine is formed as a byproduct in the second route. 2-Oxo-4-ureido-6-methylhexahydropyrimidine is produced industrially by a continuous process employing a stirred tank cascade. A 70% urea solution is treated with acetaldehyde at a molar ratio of 1 : 1 in the presence of a catalytic amount of 75% sulfuric acid. The exothermic reaction is kept between 38 and 60 ℃ by controlled cooling. The pH is initially kept above 3 and in the final reactors below 2 by addition of sulfuric acid. Average residence time in the cascade is 40 min. In the last stirred tank, the reaction mixture is neutralized with aqueous potassium hydroxide solution. Drying is carried out in a spray tower.

上流・下流製品情報

上流原料

尿素クロトンアルデヒド(トランス)アセトアルデヒド

サプライヤー3 社

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化合物ノート

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