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(R)-(+)-1-(4-メトキシフェニル)エチルアミン
(R)-(+)-1-(4-メトキシフェニル)エチルアミン · (αR)-α-メチル-4-メトキシベンゼンメタンアミン · (R)-4-メトキシ-α-メチルベンジルアミン · (R)-α-メチル-4-メトキシベンゼンメタンアミン · [R,(+)]-p-メトキシ-α-メチルベンジルアミン · (R)-1-(4-メトキシフェニル)エタンアミン · (1R)-1-(4-メトキシフェニル)エタンアミン · (R)-(+)-4-メトキシ-α-メチルベンジルアミン
識別子と物理属性
| CAS No. | 22038-86-4 |
|---|---|
| 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([C@@H](C)N)cc1 |
| InChIKey | JTDGKQNNPKXKII-SSDOTTSWSA-N |
| PubChem CID | 641449 |
| EC No. | 606-907-3 |
| DTXSID | DTXSID90348903 |
| 現地名 | (R)-(+)-1-(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 | 2 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 108 |
| 融点 | <-20°C |
| 沸点 | 65°C 0,4mm |
| 比旋光度 | 32 º (neat) |
| 密度 | 1.024 g/mL at 20 °C(lit.) |
| 屈折率 | n20/D 1.533 |
| 引火点 | 65°C/0.38mm |
| 貯蔵条件 | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa（酸解離定数） | 9.29±0.10(Predicted) |
| 外観・状態 | liquid |
| 溶解度 | 水に溶けます (10g/L)。 |
| BRN | 2413029 |
| InChI | InChI=1/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3/t7-/s3 |
| InChIKey | JTDGKQNNPKXKII-SSDOTTSWSA-N |
| SMILES | [C@@H](C1C=CC(OC)=CC=1)(N)C |&1:0,r| |
| CAS データベース | 22038-86-4(CAS DataBase Reference) |
化学的特性
Colorless liquid
安全性と法規制
| GHS 分類 | DangerH302 (99.3%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H317 (71.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (71.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H412 (71.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 151 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. |
|---|---|
| 規制情報 | Status: Active Update: 22-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/12055 |
| Hazard Classes and Categories | Acute Tox. 4 (99.3%)Skin Corr. 1B (100%)Skin Sens. 1A (71.5%)Eye Dam. 1 (71.5%)Aquatic Chronic 3 (71.5%) |
| F | 10-34 |
| 水環境危害等級（WGK） | 3 |
| 輸送番号（UN） | UN 2735 8/PG 3 |
| 税関コード | 29222990 |
| 危険文句（R） | 34-22 |
| 消防法 | 危-4-3-III |
| 危険表示 | C |
| 安全措置（S） | 26-36/37/39-45 |
| 危険等級 | 8Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1BSkin Sens. 1A |
用途
使用
(R)-(+)-1-(4-Methoxyphenyl)ethylamine use in diastereo-and enantioselective Michael addition reactions. Thiazoles has been prepared from (R)-(+)-1-(4-Methoxyphenyl)ethylamine.