化工社化工社 化学情報印刷レポート · 研究参考用
2-(4-メトキシフェニル)エチルアミン
2-(4-メトキシフェニル)エチルアミン · p-メトキシフェネチルアミン · 4-メトキシベンゼンエタンアミン · 1-メトキシ-4-(2-アミノエチル)ベンゼン · 2-(4-メトキシフェニル)エタンアミン · O,N-ジメチルチラミン · (4-メトキシフェネチル)アミン · 4-メトキシフェネチルアミン
識別子と物理属性
| CAS No. | 2045-79-6 |
|---|---|
| 分子式 | C9H13NO |
| 平均分子量 | 151.21 g/mol |
| 単同位体質量 | 151.09971404 g/mol |
| SMILES | COc1ccc(CCN)cc1 |
| InChIKey | LTPVSOCPYWDIFU-UHFFFAOYSA-N |
| PubChem CID | 4657 |
| ChEMBL | CHEMBL101036 |
| ChEBI | CHEBI:266039 |
| EC No. | 200-245-5 |
| DTXSID | DTXSID6058764 |
| 現地名 | 2-(4-メトキシフェニル)エチルアミン |
化学・物理的性質
| XLogP | 1.6 |
|---|---|
| 極性表面積 | 35.3 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 3 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 97 |
| Kovats Retention Index | 1318.81335.7 |
| 融点 | 249-251°C |
| 沸点 | 138-140 °C20 mm Hg(lit.) |
| 密度 | 1.031 g/mL at 20 °C(lit.) |
| 屈折率 | n20/D 1.538(lit.) |
| 引火点 | >230 °F |
| 貯蔵条件 | 2-8°C |
| 溶解度 | Chloroform (Sparingly), Methanol (Slightly) |
| pKa（酸解離定数） | 9.96±0.10(Predicted) |
| 外観・状態 | 液体 |
| 色 | ライトイエロー |
| BRN | 508967 |
| InChI | InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3 |
| InChIKey | LTPVSOCPYWDIFU-UHFFFAOYSA-N |
| SMILES | C1(CCN)=CC=C(OC)C=C1 |
| CAS データベース | 55-81-2(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzeneethanamine, 4-methoxy-(55-81-2) |
| EPAの化学物質情報 | Benzeneethanamine, 4-methoxy- (55-81-2) |
化学的特性
clear colorless to slightly yellow liquid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 0.9% (1 of 106) of reports.DangerH314 (99.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (38.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 106 reports by companies from 4 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 106 reports by companies.There are 3 notifications provided by 105 of 106 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. |
|---|---|
| 規制情報 | Status: Active Update: 30-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/273402-(4-Methoxyphenyl)-ethylamine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1C (99.1%)Eye Dam. 1 (38.7%)Skin Corr. 1B (100%) |
| F | 10-23 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | SH7875000 |
| 輸送番号（UN） | UN 2735 8/PG 3 |
| 税関コード | 29222900 |
| 危険文句（R） | 34 |
| 消防法 | 危-4-3-III |
| 危険表示 | C,T |
| hazard_note | Toxic/Corrosive |
| 安全措置（S） | 26-36/37/39-45-27 |
| 危険等級 | 8Skin Corr. 1B |
| 包装等級 | II |
| 貯蔵分類 | 8A - Combustible corrosive hazardous materials |
用途
使用
4-Methoxyphenethylamine an inhibitor of the deamination of tyramine and tryptamine. It is intermediates of ritodrine. ritodrine is an adrenergic β2 receptor agonists used to prevent premature birth.
一般的な説明
4-Methoxyphenethylamine inhibits the monoamine oxidase-catalyzed deamination of both tyramine and tryptamine.