2-(1-ピペラジニルカルボニル)-1,4-ベンゾジオキサン

N-1,4-Benzodioxane-2-carbonyl piperazine

HCID 2735449

基本情報

CAS
70918-00-2
標準SMILES
O=C(C1COc2ccccc2O1)N1CCNCC1
InChIKey
FLUPDJNTYCSBJZ-UHFFFAOYSA-N
分子式
C13H16N2O3
平均分子量
248.28 g/mol
単同位体質量
248.11609238

名称と識別子

優先名称
N-1,4-Benzodioxane-2-carbonyl piperazine
IUPAC
2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone
現地名
2-(1-ピペラジニルカルボニル)-1,4-ベンゾジオキサン
英語名
1-(1,4-Benzodioxane-2-carbonyl)piperazine
分子式
C13H16N2O3
分子量
248.28

名称と別名

70918-00-2(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanoneN-1,4-Benzodioxane-2-carbonyl piperazine53FEH46OYEDOXAZOSIN IMPURITY BEC 700-374-11-(1,4-BENZODIOXAN-2-YLCARBONYL)PIPERAZINE2,3-dihydro-1,4-benzodioxin-2-yl(piperazin-1-yl)methanonePiperazine, 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-DOXAZOSIN MESILATE IMPURITY B [EP IMPURITY]1-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]piperazine(2,3-Dihydrobenzo(1,4)dioxin-2-yl)piperazin-1-yl-methanone
名称をさらに表示
2-(1-ピペラジニルカルボニル)-1,4-ベンゾジオキサン1-[(1,4-ベンゾジオキサン-2-イル)カルボニル]ピペラジン1-(1,4-ベンゾジオキサン-2-イルカルボニル)ピペラジンN-[(1,4-ベンゾジオキサン-2-イル)カルボニル]ピペラジン[(2,3-ジヒドロ-1,4-ベンゾジオキシン)-2-イル](ピペラジノ)ケトン(2,3-ジヒドロ-1,4-ベンゾジオキシン-2-イル)-1-ピペラジニルメタノン1-(2,3-ジヒドロ-1,4-ベンゾジオキシン-2-カルボニル)ピペラジン1-[(2,3-ジヒドロ-1,4-ベンゾジオキシン-2-イル)カルボニル]ピペラジン2-(ピペラジノカルボニル)-2,3-ジヒドロ-1,4-ベンゾジオキシン2-(ピペラジノカルボニル)-1,4-ベンゾジオキサンピペラジノ(2,3-ジヒドロ-1,4-ベンゾジオキシン-2-イル)ケトン1-(2,3-ジヒドロ-1,4-ベンゾジオキシン-2-イルカルボニル)ピペラジン2,3-ジヒドロ-2-(1-ピペラジニルカルボニル)-1,4-ベンゾジオキシン(2,3-ジヒドロ-1,4-ベンゾジオキシン-2-イル)(ピペラジン-1-イル)メタノンN-[(1,4-Benzodioxane-2-yl)carb2,3-Dihydro-1,4-Benzodioxan-2Yl-1,4-BENZODIOXAN-2-CARBOXYPIPERAZINE1-(1,4-BENZODIOXAN-2-CARBOXY)PIPERAZINE1-(1,4-Benzodioxane-2-carbonyl)piperazineN-(1,4-Benzodioxane-2-carbonyl)piperazine2-(1-Piperazinylcarbonyl)-1,4-benzodioxane6N-(1,4-benzodialkyl-2-carbonyl)piperazineN-[(1,4-BENZODIOXAN-2-YL)CARBONYL]PIPERAZINE
1-((2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)CARBONYL)PIPERAZINE1-((2RS)-2,3-DIHYDRO-1,4-BENZODIOXIN-2-YLCARBONYL)PIPERAZINEMETHANONE, (2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)-1-PIPERAZINYL-PIPERAZINE, 1-((2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)CARBONYL)-(2,3-DIHYDROBENZO(B)(1,4)DIOXIN-2-YL)(PIPERAZIN-1-YL)METHANONEDOXAZOSIN MESILATE IMPURITY B (EP IMPURITY)1-[(2rs)-2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl]piperazineRefChem:828753

データベース識別子

CAS
70918-00-2
PubChem CID
2735449
UNII
53FEH46OYE
EC Number
700-374-1
Nikkaji
J1.082.664K

物性

構造計算による物性

XLogP
0.7
極性表面積
50.8 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
1
重原子数
18

物理化学的性質

融点
103 to · 103.0 to 107.0 °C
沸点
437.2 · 437.2±45.0 °C(Predicted)
比重(密度)
1.246 · 1.246±0.06 g/cm3(Predicted)
溶解性
soluble in Methanol
酸解離定数(Pka)
8.32 · 8.32±0.10(Predicted)
外見
Powder

化学的性質

化学的特性White or light brown powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 7.1% (1 of 14) of reports.

Danger

H301 (64.3%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (64.3%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (64.3%): Toxic if inhaled [Danger Acute toxicity, inhalation];H335 (21.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (64.3%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H411 (64.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 14 reports by companies.;There are 5 notifications provided by 13 of 14 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationStatus: Active Update: 05-10-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1551
Hazard Classes and CategoriesAcute Tox. 3 (64.3%);Acute Tox. 4 (14.3%);Acute Tox. 3 (64.3%);Skin Irrit. 2 (28.6%);Eye Irrit. 2A (28.6%);Acute Tox. 3 (64.3%);STOT SE 3 (21.4%);STOT RE 2 (64.3%);Aquatic Chronic 2 (64.3%)

法規制情報

Regulatory InformationStatus: Active Update: 05-10-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1551

安全データ

hs_code
2933.59.9500
risk_code
23/24/25-48/22-51/53
hazard_code
Xi,N,T
safety_code
53-45-61
hazard_class
IRRITANT

化学と産業

応用分野

用途有機合成原料。

上流・下流製品情報

サプライヤー86 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海华恩医药科技有限公司+86-13681955282 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

関連反応

17 件

化合物ノート

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