シクロドデシルアミン
シクロドデシルアミン · アミノシクロドデカン · 1-シクロドデカンアミン · シクロドデカンアミン · Cyclododecanamine · Cyclododecylamine · AMINOCYCLODODECANE · 1-Cyclododecanamine
識別子と物理属性
| CAS No. | 1502-03-0 |
|---|---|
| 分子式 | C12H25N |
| 平均分子量 | 183.33 g/mol |
| 単同位体質量 | 183.1986998 g/mol |
| SMILES | NC1CCCCCCCCCCC1 |
| InChIKey | HBGGBCVEFUPUNY-UHFFFAOYSA-N |
| PubChem CID | 2897 |
| ChEMBL | CHEMBL3752009 |
| EC No. | 216-118-2 |
| DTXSID | DTXSID1061736 |
| 現地名 | シクロドデシルアミン |
化学・物理的性質
| XLogP | 3.5 |
|---|---|
| 極性表面積 | 26 |
| 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 | 0 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 99 |
| 融点 | 27-29 °C(lit.) |
| 沸点 | 122-124 °C7 mm Hg(lit.) |
| 密度 | 0.9093 (rough estimate) |
| 屈折率 | 1.487-1.489 |
| 引火点 | 250 °F |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,Room temperature |
| pKa（酸解離定数） | 10.98±0.20(Predicted) |
| CAS データベース | 1502-03-0(CAS DataBase Reference) |
| EPAの化学物質情報 | Cyclododecanamine (1502-03-0) |
化学的特性
CLEAR SLIGHTLY YELLOW LIQUID AFTER MELTING
安全性と法規制
| GHS 分類 | DangerH302+H312 (71.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]H302 (71.7%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (71.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (71.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (28.3%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (71.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (28.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (27.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 145 reports by companies from 5 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (71.7%)Skin Corr. 1A (71.7%)Skin Irrit. 2 (28.3%)Eye Dam. 1 (71.7%)Eye Irrit. 2 (28.3%)STOT SE 3 (27.6%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | UN 3259 8/PG 3 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| 安全措置（S） |
製法・合成法
調製方法
Cyclododecylamine is produced by reduction of cyclododecanone oxime with sodium and an alcohol, by catalytic reduction of nitrocyclododecane with hydrogen, by Ritter reaction of cyclododecene with hydrocyanic acid, or by hydrogenation of cyclododecanone under amination conditions. The reaction of cyclododecylamine with propylene oxide leads to a product that can undergo cyclization to give the fungicide Dodemorph (BASF). The compound behaves chemically as a primary amine.
純化方法
It can be purified via the hydrochloride salt m 274-275o (from EtOH) or the picrate m 232-234o, and the free base is distilled preferably at water-pump vacuum [Prelog et al. Helv Chim Acta 33 365 1950].