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Morpholine-3-carboxamide
morpholine-3-carboxamide · Morpholine-3-carboxylic acid amide
識別子と物理属性
| CAS No. | 848488-74-4 |
|---|---|
| 分子式 | C5H10N2O2 |
| 平均分子量 | 130.15 g/mol |
| 単同位体質量 | 130.07422757 g/mol |
| SMILES | NC(=O)C1COCCN1 |
| InChIKey | YPSPPJRTCRMQGD-UHFFFAOYSA-N |
| PubChem CID | 19792002 |
| EC No. | 841-865-1 |
化学・物理的性質
| XLogP | -1.6 |
|---|---|
| 極性表面積 | 64.4 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 1 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 116 |
| 沸点 | 350.0±37.0 °C(Predicted) |
| 密度 | 1.162±0.06 g/cm3(Predicted) |
| pKa（酸解離定数） | 16.36±0.20(Predicted) |
安全性と法規制
| GHS 分類 | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%) |
| 危険有害性情報 | コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H315 |
用途
使用
3-Morpholinecarboxamide is derived from 3-Morpholinecarbonitrile (M723800), which is used as a reactant in the synthesis of N-methyl pyrimidone derivatives as potent and orally bioavailable HIV integrase inhibitors.