CAS 37663-44-8 3H-spiro(2-benzofuran-1,4'-piperidine) hydrochloride (HCID 22509330)

基本情報

CAS: 37663-44-8
標準SMILES: Cl.c1ccc2c(c1)COC21CCNCC1
InChIKey: SFQFBDOOIIHNMY-UHFFFAOYSA-N
分子式: C12H16ClNO
平均分子量: 225.71 g/mol
単同位体質量: 225.09204181

名称と識別子

優先名称: 3H-spiro(2-benzofuran-1,4'-piperidine) hydrochloride
IUPAC: spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
現地名: 3H-スピロ[2-ベンゾフラン-1,4'-ピペリジン]塩酸塩
英語名: 4-Spiro-[1-phthalan]piperidine hydrochloride
分子式: C12H16ClNO
分子量: 225.71

名称と別名

3H-spiro[2-benzofuran-1,4'-piperidine] hydrochloride3H-spiro(2-benzofuran-1,4'-piperidine) hydrochlorideRefChem:505820835-479-237663-44-83H-spiro[isobenzofuran-1,4'-piperidine] hydrochloride4-spiro-[1-phthalan]piperidine hydrochlorideMFCD021791463H-SPIRO[ISOBENZOFURAN-1,4'-PIPERIDINE] HCLspiro[1H-2-benzofuran-3,4'-piperidine];hydrochlorideSpiro[isobenzofuran-1(3H),4'-piperidine], hydrochloride3h-spiro[isobenzofuran-1,4'-piperidine]hydrochloride

名称をさらに表示

3H-スピロ[2-ベンゾフラン-1,4'-ピペリジン]塩酸塩4-スピロ-[1-フタラン]ピペリジン塩酸塩4-Spiro-[1-phthalan]piperidine, HClspiro[1H-2-benzofuran-3,4'-piperidine]3H-Spiro[Isobenzofuran-1,4''-Piperidine] HclSpiro[phthalan-1,4'-piperidine] hydrochloride3H-Spiro[isobenzofuran-1,4'-piperidine] HydrochL

3H-SPIRO(isobenzofuran-1,4-piperidine)hydrochlorideSpiro[isobenzofuran-1(3H),4'-piperidine] HydrochlorideSFQFBDOOIIHNMY-UHFFFAOYSA-N3H-Spiro(isobenzofuran-1,4-piperidine)HClSCHEMBL78480SCHEMBL29717167DTXSID40626389AR2402

データベース識別子

CAS: 37663-44-8
PubChem CID: 22509330
DTXSID: DTXSID40626389
EC Number: 835-479-2

物性

構造計算による物性

極性表面積: 21.3 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: 0
重原子数: 15
形式電荷: 0
複雑度: 210

物理化学的性質

貯蔵温度: Inert atmosphere,Room Temperature
InChI: InChI=1S/C12H15NO.ClH/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12;/h1-4,13H,5-9H2;1H
InChIKey: SFQFBDOOIIHNMY-UHFFFAOYSA-N
SMILES: C12(CCNCC1)OCC1C=CC=CC2=1.Cl

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.