Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
(R)-1-(4-Methoxyphenyl)ethylamine
(R)-1-(4-methoxyphenyl)ethan-1-amine · (R)-(+)-4-Methoxy- · (R)-p-Methoxyphenylethylamine · R - the Methoxy phenethylaMine · R(+)-1-(4-Methoxyphenyl)Ethyla · (R)-p-Methoxy-ethylbenzylamine · (+)-1-(4-Methoxyphenyl)ethylamine · (1R)-1-(4-methoxyphenyl)ethanamine
식별자 및 물리적 특성
| CAS No. | 22038-86-4 |
|---|---|
| 분자식 | C9H13NO |
| 평균 분자량 | 151.21 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 1.6 |
|---|---|
| 극성 표면적 | 35.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 108 |
| 녹는점 | <-20°C |
| 끓는 점 | 65°C 0,4mm |
| 밀도 | 1.024 g/mL at 20 °C(lit.) |
| 굴절률 | n20/D 1.533 |
| 인화점 | 65°C/0.38mm |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa(산도 계수) | 9.29±0.10(Predicted) |
| 물리적 상태 | liquid |
| 용해도 | 물에 용해됩니다(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| |
화학적 성질
Colorless liquid
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 2735 8/PG 3 |
| 관세 코드 | 29222990 |
| 위험 문구(R) | 34-22 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | III |
| 위험 등급 | 8Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1BSkin Sens. 1A |
| F 고인화성물질 | 10-34 |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
(R)-(+)-1-(4-Methoxyphenyl)ethylamine use in diastereo-and enantioselective Michael addition reactions. Thiazoles has been prepared from (R)-(+)-1-(4-Methoxyphenyl)ethylamine.