6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン塩酸塩

6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

HCID 6456035

基本情報

CAS: 2328-12-3
標準SMILES: COc1cc2c(cc1OC)CNCC2.Cl
InChIKey: SHOWAGCIRTUYNA-UHFFFAOYSA-N
分子式: C11H16ClNO2
平均分子量: 229.7 g/mol
単同位体質量: 229.08695643

概要

Heliamine hydrochloride is the hydrochloride salt of heliamine. It has a role as a plant metabolite. It contains a heliamine(1+).

名称と識別子

優先名称: 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
IUPAC: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
現地名: 6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン塩酸塩
英語名: 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
分子式: C11H16ClNO2
分子量: 229.7

名称と別名

6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride2328-12-3RefChem:1073589607-218-0MFCD000127446,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolinehydrochlorideHeliamine hydrochloride6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline hydrochlorideIsoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1)NSC18443NSC-18443CS-W002076

名称をさらに表示

6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン塩酸塩6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン塩酸塩6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン塩酸塩,6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン・塩酸塩7-DiMethoxy-1TIMTEC-BB SBB003285LABOTEST-BB LT004530254-tetrahydroisoquinoline hydrochloride6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoL6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolineHClisoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-6,7-Dimethoxy-1,2,3,4-tetrahydroisochinoline*HCl6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline,chloride

PS-77276,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochlorideD2472EN300-17866ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-, HYDROCHLORIDE6,7dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, chlorideHeliamine HCl

データベース識別子

CAS: 2328-12-3
PubChem CID: 6456035
DTXSID: DTXSID30945970
ChEBI: CHEBI:194745
EC Number: 607-218-0

物性

構造計算による物性

極性表面積: 30.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 186

物理化学的性質

融点: 260 · 260-265 °C(lit.)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: 25 mg/mL、透明、無色 · 可溶25mg/mL、透明、無色 (メタノール中 1N NaOH)
外見: 光沢のあるフレークまたは結晶性粉末
色: 白～ややベージュ
水溶解度: 25 mg/mL, · soluble 25mg/mL, clear, colorless (1N NaOH in methanol)
BRN: 3634126 · 3634126
InChI: InChI=1S/C11H15NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-6,12H,3-4,7H2,1-2H3;1H
InChIKey: SHOWAGCIRTUYNA-UHFFFAOYSA-N
SMILES: C12CCNCC=1C=C(OC)C(OC)=C2.Cl
CAS データベース: 2328 · 2328-12-3(CAS DataBase Reference)

化学的性質

化学的特性white to slightly beige shiny flakes or

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 48 reports by companies from 8 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

wgk: 3
rtecs: NX5017980
毒性: mouse,LD50,intraperitoneal,272mg/kg (272mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDBEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY),Yakugaku Zasshi. Journal of Pharmacy. Vol. 88, Pg. 1197, 1968.
hs_code: 29334900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride has been used as starting material for the synthesis of more complex isoquinolines and quinolizidines.

一般的な説明6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride is also referred as heliamine. It is an alkaloid isolated from mexican cereoid, Backebergia militaris.