化工社化工社 化学情報印刷レポート · 研究参考用
N-メチル-n-オクタデシルアミン
N-メチル-n-オクタデシルアミン · N-メチルオクタデカン-1-アミン · N-メチル-1-オクタデカンアミン · N-メチルステアリルアミン · N-メチルオクタデシルアミン · メチルオクタデシルアミン · N‐メチル‐N‐オクタデシルアミン · メチル(オクタデシル)アミン
識別子と物理属性
| CAS No. | 2439-55-6 |
|---|---|
| 分子式 | C19H41N |
| 平均分子量 | 283.5 g/mol |
| 単同位体質量 | 283.32390031 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCNC |
| InChIKey | SZEGKVHRCLBFKJ-UHFFFAOYSA-N |
| PubChem CID | 75539 |
| EC No. | 219-463-7 |
| DTXSID | DTXSID50870977 |
| 現地名 | N-メチル-n-オクタデシルアミン |
化学・物理的性質
| XLogP | 8.6 |
|---|---|
| 極性表面積 | 12 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 17 |
| 重原子数 | 20 |
| 形式電荷 | 0 |
| 複雑度 | 156 |
| Kovats Retention Index | 2088 |
| 融点 | 42-46 °C (lit.) |
| 沸点 | 346.08°C (estimate) |
| 密度 | 0.7953 (estimate) |
| 屈折率 | 1.4528 (estimate) |
| 引火点 | >230 °F |
| 溶解度 | soluble in Methanol |
| 外観・状態 | powder to crystal |
| pKa（酸解離定数） | 10.78±0.10(Predicted) |
| 色 | White to Light yellow to Light orange |
| BRN | 1758431 |
| InChI | 1S/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h20H,3-19H2,1-2H3 |
| InChIKey | SZEGKVHRCLBFKJ-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCCCNC |
| CAS データベース | 2439-55-6(CAS DataBase Reference) |
| EPAの化学物質情報 | 1-Octadecanamine, N-methyl- (2439-55-6) |
安全性と法規制
| GHS 分類 | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (48.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (51.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (48.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 78 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Chemical: 1-Octadecanamine, N-methyl-Status: Active Update: 22-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16874 |
| その他の安全情報 | IMAP assessments - 1-Octadecanamine, N-methyl-: Human health tier I assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Dam. 1 (48.7%)Eye Irrit. 2 (51.3%)STOT SE 3 (50%)Aquatic Chronic 2 (48.7%) |
| F | 10-34 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | RG4460000 |
| 毒性 | mouse,LD50,intraperitoneal,270mg/kg (270mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 517, 1991. |
| 税関コード | 2921.19.6190 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| 安全措置（S） | 26-37/39 |
| 危険等級 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
N-METHYL-N-OCTADECYLAMINE is an aliphatic amine molecule that was used in the extraction of heparin.