5-ブロモ-1,2,3,4-テトラヒドロ-イソキノリン塩酸塩

5-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride

HCID 45074003

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 923591-51-9
標準SMILES: Brc1cccc2c1CCNC2.Cl
InChIKey: SBMVDLGSHBOIOK-UHFFFAOYSA-N
分子式: C9H11BrClN
平均分子量: 248.55 g/mol
単同位体質量: 246.97633913

名称と識別子

優先名称: 5-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride
IUPAC: 5-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
現地名: 5-ブロモ-1,2,3,4-テトラヒドロ-イソキノリン塩酸塩
英語名: Isoquinoline, 5-bromo-1,2,3,4-tetrahydro-, hydrochloride
分子式: C9H11BrClN
分子量: 248.55

名称と別名

5-bromo-1,2,3,4-tetrahydroisoquinoline hydrochlorideRefChem:532651676-394-9923591-51-95-bromo-1,2,3,4-tetrahydro-isoquinoline hclMFCD058615505-Bromo-1,2,3,4-tetrahydro-isoquinoline hydrochloride5-bromo-1,2,3,4-tetrahydroisoquinoline hcl5-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride5-bromo-1,2,3,4-tetrahydroisoquinoline,hydrochlorideSCHEMBL1922572SCHEMBL30955066

名称をさらに表示

5-ブロモ-1,2,3,4-テトラヒドロ-イソキノリン塩酸塩5-BroMo-1,2,3,4-tetrahdyroisoquinoline hydrochlorideIsoquinoline, 5-bromo-1,2,3,4-tetrahydro-, hydrochloride5-bromo-1,2,3,4-tetrahydro-Isoquinoline hydrochloride (1:1)Isoquinoline, 5-bromo-1,2,3,4-tetrahydro-, hydrochloride (1:1)

DTXSID10662875SBMVDLGSHBOIOK-UHFFFAOYSA-NAKOS015958982CS-W022295SB204525-bromo-1,2,3,4-tetrahydroisoquinoliAS-19412DA-00790

データベース識別子

CAS: 923591-51-9
PubChem CID: 45074003
DTXSID: DTXSID10662875
EC Number: 676-394-9

物性

構造計算による物性

極性表面積: 12 Å²
水素結合供与体数: 2
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 138

物理化学的性質

貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: powder
色: Light yellow
InChI: InChI=1S/C9H10BrN.ClH/c10-9-3-1-2-7-6-11-5-4-8(7)9;/h1-3,11H,4-6H2;1H
InChIKey: SBMVDLGSHBOIOK-UHFFFAOYSA-N
SMILES: BrC1C=CC=C2CNCCC=12.Cl

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.