1-アミノシクロプロパンカルボン酸
1-アミノシクロプロパンカルボン酸 · 1-アミノシクロプロパン-1α-カルボン酸 · 2,2-エタノグリシン · 1-アミノ-1-シクロプロパンカルボン酸 · 1-アミノシクロプロパン-1-カルボン酸 · アミノシクロプロパンカルボン酸 · カルボキシシクロプロピルアミン · 1‐アミノ‐1‐シクロプロパンカルボン酸
識別子と物理属性
| CAS No. | 22059-21-8 |
|---|---|
| 分子式 | C4H7NO2 |
| 平均分子量 | 101.1 g/mol |
| 単同位体質量 | 101.04767847 g/mol |
| SMILES | NC1(C(=O)O)CC1 |
| InChIKey | PAJPWUMXBYXFCZ-UHFFFAOYSA-N |
| PubChem CID | 535 |
| ChEMBL | CHEMBL265325 |
| ChEBI | CHEBI:18053 |
| EC No. | 606-917-8 |
| DTXSID | DTXSID9039577 |
| 現地名 | 1-アミノシクロプロパンカルボン酸 |
化学・物理的性質
| XLogP | -2.8 |
|---|---|
| 極性表面積 | 63.3 |
| 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 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 106 |
| LogP（分配係数） | -2.78 |
| 融点 | 229 - 231 °C229-231 °C (lit.) |
| Physical Description | Solid |
| Dissociation Constants | 2.73 |
| Collision Cross Section | 135.6 Ų [M-H]- |
| 沸点 | 189.47°C (rough estimate) |
| 密度 | 1.2245 (rough estimate) |
| 屈折率 | 1.4340 (estimate) |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 溶解度 | DMSO（微量）、水（微量）水に溶ける。 |
| 外観・状態 | 粉粒体 |
| pKa（酸解離定数） | 2.29±0.20(Predicted) |
| 色 | ホワイトからオフホワイト |
| BRN | 2076413 |
| 安定性 | -20℃の冷凍庫で保存 |
| InChI | InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) |
| InChIKey | PAJPWUMXBYXFCZ-UHFFFAOYSA-N |
| SMILES | C1(N)(C(O)=O)CC1 |
| CAS データベース | 22059-21-8(CAS DataBase Reference) |
化学的特性
Crystalline
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 7 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 | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (97.7%) |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | GZ1110000 |
| 税関コード | 29213000 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| hazard_note | Irritant |
| 安全措置（S） | 26-36-37/39 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
用途
有機合成用試薬。
説明
1-Aminocyclopropanecarboxylic acid (ACPC) is an intermediate in the synthesis of ethylene, the plant hormone responsible for biological processes ranging from seed germination to organ senescence. ACPC has been shown to modulate NMDA receptor activity by acting as a partial agonist at the glycine-binding site on NMDA receptors (EC50 = 0.7-0.9 μM) in the presence of low levels (1 μM) of glutamate and as a competitive antagonist at the glutamate-binding site on NMDA receptors (EC50 = 81.6 nM) with high levels (10 μM) of glutamate. This compound has been reported to protect against neuron cell death in in vivo models of ischemia by enabling moderate levels of NMDA receptor activation and attenuating any excess NMDA receptor signaling that may lead to neurotoxicity.
使用
1-Aminocyclopropane-1-carboxylic Acid is a plant growth regulator. It is an NMDA agonist acting at the glycine site.
一般的な説明
1-Aminocyclopropanecarboxylic acid is a member of 1-aminocycloalkanecarboxylic acids.