[[(6-メチル-2-ピリジニル)アミノ]メチレン]プロパン二酸ジエチル

Diethyl [[(6-methyl-2-pyridyl)amino]methylene]malonate

HCID 83264CAS 13250-95-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CCOC(=O)C(=CNc1cccc(C)n1)C(=O)OCC
InChIKey: IAXFBMUDERBERN-UHFFFAOYSA-N
分子式: C14H18N2O4
平均分子量: 278.3 g/mol
単同位体質量: 278.12665706

名称と識別子

優先名称: Diethyl [[(6-methyl-2-pyridyl)amino]methylene]malonate
IUPAC: diethyl 2-[[(6-methyl-2-pyridinyl)amino]methylidene]propanedioate
現地名: [[(6-メチル-2-ピリジニル)アミノ]メチレン]プロパン二酸ジエチル
英語名: diethyl [[(6-methyl-2-pyridyl)amino]methylene]malonate
分子式: C14H18N2O4
分子量: 278.3

名称と別名

EINECS 236-233-1DIETHYL [[(6-METHYL-2-PYRIDYL)AMINO]METHYLENE]MALONATEDiethyl (((6-methyl-2-pyridyl)amino)methylene)malonateDTXSID00157604NSC 169694RefChem:586969DTXCID9080095236-233-113250-95-8Diethyl (6-methyl-2-pyridylaminomethylene)malonatediethyl 2-[[(6-methylpyridin-2-yl)amino]methylidene]propanedioateMFCD00023437

名称をさらに表示

[[(6-メチル-2-ピリジニル)アミノ]メチレン]プロパン二酸ジエチル(6-メチル-2-ピリジルアミノメチレン)マロン酸ジエチル1,3-ジエチル 2-{[(6-メチルピリジン-2-イル)アミノ]メチリデン}プロパンジオアートDiethyl {[(6-methylpyridin-2-yl)-amino]methylene}malonateDIETHYL 2-(((6-METHYL-2-PYRIDINYL)AMINO)METHYLENE)MALONATEdiethyl 2-(((6-methylpyridin-2-yl)amino)methylene)malonateDiethyl{[(6-methyl-2-pyridinyl)amino]methylene}propanedioatediethyl 2-[[(6-methyl-2-pyridyl)amino]methylene]propanedioate2-[[(6-methyl-2-pyridyl)amino]methylene]malonic acid diethyl ester2-[[(6-methyl-2-pyridyl)amino]methylene]propanedioic acid diethyl ester[[(6-Methyl-2-pyridinyl)amino]methylene]propanedioic acid diethyl ester

1,3-diethyl 2-{[(6-methylpyridin-2-yl)amino]methylidene}propanedioatePropanedioic acid, 2-[[(6-methyl-2-pyridinyl)amino]methylene]-, 1,3-diethyl esterdiethyl 2-((6-methylpyridin-2-ylamino)methylene)malonate2-[(6-Methyl-pyridin-2-ylamino)-methylene]-malonic acid diethyl esterdiethyl 2-{[(6-methyl-2-pyridinyl)amino]methylene}malonatediethyl {[(6-methylpyridin-2-yl)amino]methylidene}propanedioatepropanedioic acid, [[(6-methyl-2-pyridinyl)amino]methylene]-, diethyl esterSR-01000089342

データベース識別子

CAS: 13250-95-8
PubChem CID: 83264
DTXSID: DTXSID00157604
ChEMBL: CHEMBL3212039
EC Number: 236-233-1
Nikkaji: J213.777A

物性

構造計算による物性

XLogP: 2.9
極性表面積: 77.5 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 8
重原子数: 20
形式電荷: 0
複雑度: 348

物理化学的性質

融点: 105.5 · 105.5-105.7 °C
沸点: 357 · 357.0±42.0 °C(Predicted)
比重(密度): 1.187 · 1.187±0.06 g/cm3(Predicted)
溶解性: soluble in Chloroform
外見: Solid
酸解離定数(Pka): 4.11 · 4.11±0.10(Predicted)
色: Pale Yellow to Pale Beige

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H315

化学と産業

応用分野

使用Diethyl (6-methyl-2-pyridylaminomethylene)malonate is a useful reagent for pharmaceutical synthesis. It is used in the preparation of substituted quinoline carboxyguanidines which functions as an antidiabetic agents.