基本情報
- CAS
6481-48-7- 標準SMILES
Cl.Cl.Cn1cnc(CCN)c1- InChIKey
AGXVEALMQHTMSW-UHFFFAOYSA-N- 分子式
- C6H13Cl2N3
- 平均分子量
- 198.09 g/mol
- 単同位体質量
- 197.04865278
概要
See also: N-Methylhistamine dihydrochloride (annotation moved to).
名称と識別子
- 優先名称
- 1-Methylhistamine dihydrochloride
- IUPAC
- 2-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
- 現地名
- 1-メチル-1H-イミダゾール-4-エタンアミン·2塩酸塩
- 英語名
- 1-Methylhistamine dihydrochloride
- 分子式
- C6H13Cl2N3
- 分子量
- 198.09
名称と別名
1-Methylhistamine dihydrochlorideRefChem:434621636-353-86481-48-72-(1-Methyl-1H-imidazol-4-yl)ethanamine dihydrochlorideMFCD000370002-(1-methyl-1H-imidazol-4-yl)ethan-1-amine dihydrochloride2-(1-methylimidazol-4-yl)ethanamine;dihydrochloride1-METHYLHISTAMINE 2HCL2-(1-methylimidazol-4-yl)ethanamine dihydrochloride1-Methylhistamine (hydrochloride)1-Methylhistamine (dihydrochloride)
名称をさらに表示
1-メチルヒスタミン二塩酸塩1-メチル-1H-イミダゾール-4-エタンアミン·2塩酸塩1-メチルヒスタミン 二塩酸塩1-メチル-1H-イミダゾール-4-エタンアミン・2塩酸塩TIMTEC-BB SBB0035611-Methylhistamine2HClTELE-METHYLHISTAMINE, HCL1-Methylhistamin-15N2 2HCl1-Methylhistamin-15N3 2HCl1-MethylhistaMine ditosylate1-Methyl histamine dichlorideTele-methylhistamine dihydrochloride
1-Methyl-4-(beta-aminoethyl)imidazole dihydrochloride1-Methyl-4-[beta-aminoethyl]imidazole dihydrochlorideN1-Methylhistamine dihydrochloride4-(2-Aminoethyl)-1-methyl-imidazole Dihydrochloride; 1-Methyl-1H-imidazole-4-ethanamine Dihydrochloride;Methylhistamine diHClEU-0100757orb1219329orb1298628
物性
構造計算による物性
- 極性表面積
- 43.8 Ų
- 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
- 2
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 84.4
物理化学的性質
- 融点
- 198 °C · >198°C (dec.)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- DMSO（微量）、メタノール（微量）
- 外見
- 粉
- 色
- ペールイエロー
- 水溶解度
- 49 · water: 49.00-51.00mg/mL, clear, colorless to faintly yellow
- 安定性
- 吸湿性
- InChI
- InChI=1S/C6H11N3.2ClH/c1-9-4-6(2-3-7)8-5-9;;/h4-5H,2-3,7H2,1H3;2*1H
- InChIKey
- AGXVEALMQHTMSW-UHFFFAOYSA-N
- SMILES
- NCCC1N=CN(C)C=1.[H]Cl.[H]Cl
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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 39 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
- wgk
- 3
- hs_code
- 2933299090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
説明1-Methylhistamine is a major metabolite of histamine by histamine N-methyltransferase in the pathway of histidine metabolism. It has been used as a biomarker of histaminergic system activity in the brains of Alzheimer’s disease patients as well as those with hypersomnia and other neurological conditions.
使用1-Methylhistamine Dihydrochloride is a selective H1-receptor agonists. Also it has depressant effects.
サプライヤー54 社
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
成都科瑞嘉医药科技有限公司18290480864 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
関連反応
5 件
化合物ノート
読み込み中…