2-アダマンタンアミン塩酸塩
2-アダマンタンアミン塩酸塩 · トリシクロ[3.3.1.13,7]デカン-2-アミン·塩酸塩 · 2-アダマンタンアミン·塩酸塩 · トリシクロ[3.3.1.13,7]デカン-2-アミン=塩酸塩 · 2-アダマンタナミン塩酸塩 · 塩酸2-アミノアダマンタン · 2-アダマンチルアミン塩酸塩 · 2-アミノアダマンタン塩酸塩
識別子と物理属性
| CAS No. | 10523-68-9 |
|---|---|
| 分子式 | C10H18ClN |
| 平均分子量 | 187.71 g/mol |
| 単同位体質量 | 187.11277726 g/mol |
| SMILES | Cl.NC1C2CC3CC(C2)CC1C3 |
| InChIKey | WLDWDRZITJEWRJ-UHFFFAOYSA-N |
| PubChem CID | 25331 |
| ChEMBL | CHEMBL447911 |
| EC No. | 234-074-2 |
| DTXSID | DTXSID60147021 |
| 現地名 | 2-アダマンタンアミン塩酸塩 |
化学・物理的性質
| 極性表面積 | 26 |
|---|---|
| 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 | 148 |
| 融点 | >300 °C(lit.) |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
| 溶解度 | DMSO（微量）、メタノール（微量）、水（微量）溶ける |
| 外観・状態 | 結晶性粉末 |
| 色 | 白い |
| BRN | 4297901 |
| InChI | InChI=1/C10H17N.ClH/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5,11H21H/t6-,7+,8-,9+,10 |
| InChIKey | WLDWDRZITJEWRJ-ZDAMNCSYNA-N |
| SMILES | C1(N)[C@@]2([H])C[C@]3([H])C[C@]([H])(C2)C[C@@]1([H])C3.Cl |&1:2,5,8,12,r| |
| CAS データベース | 10523-68-9(CAS DataBase Reference) |
化学的特性
white crystalline powder
安全性と法規制
| GHS 分類 | WarningH315 (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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10 |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | AU4375100 |
| 税関コード | 29213000 |
| 危険文句（R） | 36/37/38-22 |
| 危険表示 | Xi,Xn |
| 安全措置（S） | 26-36-36/37/39-22 |
| 危険等級 | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
2-Adamantylamine hydrochloride was used to prepare 2-adamantylamide of 2-(carboxymethoxime)-olivomycin I. The HPLC assay of 2-adamantylamine hydrochloride after pre-column derivatization with 4-fluoro-7-nitro-2,1,3-benzoxadiazole has been studied. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
一般的な説明
The HPLC assay of 2-adamantylamine hydrochloride after pre-column derivatization with 4-fluoro-7-nitro-2,1,3-benzoxadiazole has been studied.
製法・合成法
純化方法
The free amine in Et2O, liberated by the action of alkali in H2O, is dried over KOH, filtered, evaporated and sublimed at 110o/12torr, m 230-236o. The base is dissolved in EtOH, sufficient ethanolic HCl is added dropwise and crystallised by the addition of Et2O. Dry it in vacuo. [Stetter et al. Justus Liebigs Ann Chem 658 151 1962].