1-(ジフェニルメチル)-3-ヒドロキシアゼチジン塩酸塩

1-benzhydrylazetidin-3-ol Hydrochloride

HCID 2801726

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 90604-02-7
標準SMILES: Cl.OC1CN(C(c2ccccc2)c2ccccc2)C1
InChIKey: LCHTWRWPHBRTNO-UHFFFAOYSA-N
分子式: C16H18ClNO
平均分子量: 275.77 g/mol
単同位体質量: 275.10769188

名称と識別子

優先名称: 1-benzhydrylazetidin-3-ol Hydrochloride
IUPAC: 1-benzhydrylazetidin-3-ol;hydrochloride
現地名: 1-(ジフェニルメチル)-3-ヒドロキシアゼチジン塩酸塩
英語名: 1-(Diphenylmethyl)-3-Hydroxyazetidine Hydrochloride
分子式: C16H18ClNO
分子量: 275.78

名称と別名

90604-02-71-benzhydrylazetidin-3-ol HydrochlorideDTXSID60384318RefChem:227780DTXCID803353421-(Diphenylmethyl)-3-hydroxyazetidine hydrochlorideMFCD002094471-benzhydryl-3-azetidinol hydrochloride1-(diphenylmethyl)azetidin-3-ol hydrochloride3-Azetidinol, 1-(diphenylmethyl)-, hydrochloride1-benzhydrylazetidin-3-ol;hydrochloride1-(diphenylmethyl)-3-azetidinol hydrochloride

名称をさらに表示

1-(ジフェニルメチル)-3-ヒドロキシアゼチジン塩酸塩1-(ジフェニルメチル)-3-アゼチジノール塩酸塩1-(DiphenylMethyl)-3-hydroxyazetidine HClBaricitinib-008-HClBaricitinib Impurity 9 HCl1-BENZHYDRYLAZETAN-3-OL-HClBaricitinib Impurity 13 HClN-BENZHYDRYLAZETIDIN-3-OL HCL1-BENZHYDRYL AZETIDIN-3-OL HCL1-benzhydrylazetidin-1-ium-3-ol

N-Benzhydrylazetidin-3-ol hydrochloride1-Benzhydryl-azetidin-3-ol hydrochloride1-benzhydrylazetidin-3-ol hcl1-diphenylmethyl-3-hydroxy-azetidine hydrochlorideYT8KD6X4HKAzelnidipine Impurity 2 HClSCHEMBL7415831-Benzhydryl-3-azetidinol HCl

データベース識別子

CAS: 90604-02-7
PubChem CID: 2801726
DTXSID: DTXSID60384318
UNII: YT8KD6X4HK
EC Number: 675-289-5

物性

構造計算による物性

極性表面積: 23.5 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 19
形式電荷: 0
複雑度: 232

物理化学的性質

融点: 172 · 172-174°C
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly, Heated), Methanol (Slightly)
外見: 個体
色: 白色～淡黄色
CAS データベース: 90604 · 90604-02-7(CAS DataBase Reference)

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 5 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

hs_code: 2934999090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37

化学と産業

応用分野

使用1-(Diphenylmethyl)-3-Hydroxyazetidine Hydrochloride is a vital compound and can be used to synthesise 1-Benzhydrylazetidin-3-one and 1-benzhydrylazetidin-3-ol.