化工社化工社 化学情報印刷レポート · 研究参考用
シクロヘプチルアミン
シクロヘプチルアミン · シクロヘプタンアミン · スベリルアミン · 1-シクロヘプタンアミン · アミノシクロヘプタン · シクロヘプチルアミン, 97% · CYCLOHEPTANAMINE · NSC 18962
識別子と物理属性
| CAS No. | 5452-35-7 |
|---|---|
| 分子式 | C7H15N |
| 平均分子量 | 113.2 g/mol |
| 単同位体質量 | 113.12044948 g/mol |
| SMILES | NC1CCCCCC1 |
| InChIKey | VXVVUHQULXCUPF-UHFFFAOYSA-N |
| PubChem CID | 2899 |
| ChEMBL | CHEMBL1171864 |
| EC No. | 226-693-1 |
| DTXSID | DTXSID7063899 |
| 現地名 | シクロヘプチルアミン |
化学・物理的性質
| XLogP | 2 |
|---|---|
| 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 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 53 |
| Kovats Retention Index | 987.3 |
| 融点 | -18°C |
| 沸点 | 54 °C/11 mmHg (lit.) |
| 密度 | 0.889 g/mL at 25 °C (lit.) |
| 屈折率 | n20/D 1.472(lit.) |
| 引火点 | 108 °F |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,Room temperature |
| 外観・状態 | 液体 |
| pKa（酸解離定数） | 11.04±0.20(Predicted) |
| 色 | 無色透明～微黄色透明 |
| 比重 | 0.887 |
| BRN | 1847543 |
| InChI | InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2 |
| InChIKey | VXVVUHQULXCUPF-UHFFFAOYSA-N |
| SMILES | C1(N)CCCCCC1 |
| CAS データベース | 5452-35-7(CAS DataBase Reference) |
| EPAの化学物質情報 | Cycloheptanamine (5452-35-7) |
化学的特性
clear colourless to slightly yellow liquid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.DangerH226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]H314 (13%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (84.8%): Causes skin irritation [Warning Skin corrosion/irritation]H335 (87%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.There are 5 notifications provided by 45 of 46 reports by companies with hazard statement code(s).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 | Flam. Liq. 3 (97.8%)Skin Corr. 1B (13%)Skin Irrit. 2 (84.8%)STOT SE 3 (87%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | UN 2734 8/PG 2 |
| 税関コード | 29213099 |
| 危険文句（R） | 10-37/38 |
| 消防法 | 危-4-2-III |
| 危険表示 | Xi |
| 安全措置（S） | 23 |
| 危険等級 |
用途
用途
有機合成原料。
製法・合成法
純化方法
It can be purified by conversion to the hydrochloride m 242-246o, and the free base is distilled under dry N2 in a vacuum [Cope et al. J Am Chem Soc 75 3212 1953, Prelog et al. Helv Chim Acta 33 365 1950]. [Beilstein 12 IV 115.]