化工社化工社 化学情報印刷レポート · 研究参考用
Sarcosine methyl ester
Methyl methylglycinate · sarcosine methyl ester · Glycine, N-Methyl-, Methyl ester
識別子と物理属性
| CAS No. | 5473-12-1 |
|---|---|
| 分子式 | C4H9NO2 |
| 平均分子量 | 103.12 g/mol |
| 単同位体質量 | 103.06332853 g/mol |
| SMILES | CNCC(=O)OC |
| InChIKey | VXGABWCSZZWXPC-UHFFFAOYSA-N |
| PubChem CID | 83545 |
| EC No. | 106-783-6 |
| DTXSID | DTXSID60970053 |
化学・物理的性質
| XLogP | -0.3 |
|---|---|
| 極性表面積 | 38.3 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 3 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 62.7 |
| 沸点 | 118.9±23.0 °C(Predicted) |
| 密度 | 0.964±0.06 g/cm3(Predicted) |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Store in freezer, under -20°C |
| pKa（酸解離定数） | 7.44±0.10(Predicted) |
安全性と法規制
| GHS 分類 | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, 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 | Acute Tox. 4 (100%) |
用途
使用
Methyl (Methylamino)acetate is used in preparation of Spiro compounds as an Acetyl-CoA Carboxylase inhibitor or treating diseases associated with ACC activity. Also, used in preparation of Nitroxoline derivatives for treatment of infection and cancer.