化工社化工社 化学情報印刷レポート · 研究参考用
ピパンペロン
1'-[4-(4-フルオロフェニル)-4-オキソブチル]-[1,4'-ビピペリジン]-4'-カルボキサミド · フロロピパミド · ジピペロン · ピペロニル · 1′-[3-(p-フルオロベンゾイル)プロピル]-1,4′-ビピペリジン-4′-カルボキサミド · ピパムペロン · 1′-[4-(4-フルオロフェニル)-4-オキソブチル]-1,4′-ビピペリジン-4′-カルボアミド · 1-[3-(p-フルオロベンゾイル)プロピル]-4-ピペリジノ-4-ピペリジンカルボアミド
識別子と物理属性
| CAS No. | 1893-33-0 |
|---|---|
| 分子式 | C21H30FN3O2 |
| 平均分子量 | 375.5 g/mol |
| 単同位体質量 | 375.23220537 g/mol |
| SMILES | NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 |
| InChIKey | AXKPFOAXAHJUAG-UHFFFAOYSA-N |
| PubChem CID | 4830 |
| ChEMBL | CHEMBL440294 |
| ChEBI | CHEBI:78549 |
| EC No. | 606-172-9 |
| DTXSID | DTXSID8048369 |
| 現地名 | ピパンペロン |
化学・物理的性質
| XLogP | 2 |
|---|---|
| 極性表面積 | 66.6 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 7 |
| 重原子数 | 27 |
| 形式電荷 | 0 |
| 複雑度 | 506 |
| LogP（分配係数） | 2.02 |
| 溶解度 | soluble in methanolH2O: ~50 mg/mL81.7mg/L at 25℃ |
| 融点 | >254126°C(lit.) |
| Kovats Retention Index | 30903070 |
| Collision Cross Section | 192.6 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]194.1 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]194.65 Ų [M+Na]+ [CCS Type: TW191.8 Ų [M+H]+ [CCS Type: TW |
| 沸点 | 563.7±50.0 °C(Predicted) |
| 密度 | 1.1017 (estimate) |
| 貯蔵条件 | Store at -20°C |
| 外観・状態 | 粉 |
| pKa（酸解離定数） | 16.20±0.20(Predicted) |
| 色 | 白い |
| Merck | 14,7455 |
| LogP（分配係数） | 2.42 |
| EPAの化学物質情報 | Pipamperone (1893-33-0) |
安全性と法規制
| GHS 分類 | DangerH301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (50%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 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 | Status: Active Update: 02-12-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18516 |
| Hazard Classes and Categories | Acute Tox. 3 (75%)Acute Tox. 4 (25%)Skin Irrit. 2 (25%)STOT SE 3 (25%)Aquatic Chronic 2 (50%) |
| 水環境危害等級（WGK） | 1 |
| RTECS 番号 | DW1060000 |
| 輸送番号（UN） | UN 2811 6.1/PG III |
| 税関コード | 2933.39.3100 |
| 危険文句（R） |
用途
使用
Antipsychotic.