3-ヒドロキシアゼチジン塩酸塩

3-Hydroxyazetidine hydrochloride

HCID 2759290

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 18621-18-6
標準SMILES: Cl.OC1CNC1
InChIKey: UQUPQEUNHVVNKW-UHFFFAOYSA-N
分子式: C3H8ClNO
平均分子量: 109.55 g/mol
単同位体質量: 109.02944156

名称と識別子

優先名称: 3-Hydroxyazetidine hydrochloride
IUPAC: azetidin-3-ol;hydrochloride
現地名: 3-ヒドロキシアゼチジン塩酸塩
英語名: 3-Hydroxyazetidine hydrochloride
分子式: C3H8ClNO
分子量: 109.55

名称と別名

3-Hydroxyazetidine hydrochloride18621-18-6DTXSID30374721RefChem:94255DTXCID10325751628-004-3Azetidin-3-ol Hydrochlorideazetidin-3-ol hcl3-Hydroxyazetidine HClazetidin-3-ol hydrochloride saltMFCD02683887azetidin-3-ol;hydrochloride

名称をさらに表示

3-ヒドロキシアゼチジン塩酸塩アゼチジン-3-オール塩酸塩 SALTAzetidin-3-ol hydrochloride, 3-Hydroxyazetane hydrochlorideAZETAN-2-ONEBUTTPARK 75\04-67Azetidine-3-ol.HclBaricitinib-009-HCl3-hydroxyazatidine HCl3-Hydroxyl-azetidine HCl

3-Azetidinol HydrochlorideAzetidin-3-ol (hydrochloride)azetidine-3-ol hydrochloride3-hydroxyazetidinium chlorideazetidin-3-ol, hydrochloride3-hydroxy-azetidinium chlorideazetidin-3-ol monohydrochloride3-hydroxy azetidine hydrochloride

データベース識別子

CAS: 18621-18-6
PubChem CID: 2759290
DTXSID: DTXSID30374721
EC Number: 628-004-3

物性

構造計算による物性

極性表面積: 32.3 Å²
水素結合供与体数: 3
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 33.9

物理化学的性質

融点: 85 · 85-90 °C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: DMSO（微量）、メタノール（微量）、水（微量）
外見: 個体
色: ホワイトからオフホワイト
水溶解度: 水、DMSO、メタノールに可溶。
安定性: 吸湿性
InChI: InChI=1S/C3H7NO.ClH/c5-3-1-4-2-3;/h3-5H,1-2H2;1H
InChIKey: UQUPQEUNHVVNKW-UHFFFAOYSA-N
SMILES: C1(O)CNC1.Cl
CAS データベース: 18621 · 18621-18-6(CAS DataBase Reference)

化学的性質

化学的特性white crystal

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.

Danger

H302 (84.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 11 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 CategoriesAcute Tox. 4 (84.6%)

安全データ

wgk: 3
ridadr: UN1759
hs_code: 29339900
risk_code: 36/37/38-41-37/38-22
hazard_code: C,Xi,Xn
hazard_note: Harmful/Corrosive
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

説明3-hydroxyazaecyclobutane hydrochloride is an azaecyclobutane compound that is an important intermediate in the synthesis of Brectinib, which is obtained through a multi-step reaction. Brectinib was approved by the European Union. The monotherapy or in combination with methotrexate for the treatment of adult patients with moderate to severe active rheumatoid arthritis with inadequate or intolerant relief from one or more antirheumatic drugs. It is also the first JAK inhibitor approved in the European Union for the treatment of rheumatoid arthritis.

サプライヤー100 社

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上海恩氟佳科技有限公司15800445152 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

化合物ノート

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