Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
L-알파-메틸벤질아민
(에스)-(-)-알파-메틸벤질아민 · L-알파-메틸벤질아민 · L-α-메틸벤질아민 · (S)-1-phenylethan-1-amine · (S)-1-PHENYLETHYLAMINE · (S)-(-)-1-PHENYLETHYLAMINE · (S)-1-PHENYLETHANAMINE · (1S)-1-Phenylethanamine
식별자 및 물리적 특성
| CAS No. | 2627-86-3 |
|---|---|
| 분자식 | C8H11N |
| 평균 분자량 | 121.18 g/mol |
| 단동위원소 질량 | 121.08914935 g/mol |
| SMILES | C[C@H](N)c1ccccc1 |
| InChIKey | RQEUFEKYXDPUSK-ZETCQYMHSA-N |
| PubChem CID | 75818 |
| ChEMBL | CHEMBL282700 |
| ChEBI | CHEBI:35321 |
| EC No. | 220-098-0 |
| DTXSID | DTXSID701014613 |
| 현지명 | L-알파-메틸벤질아민 |
화학 및 물리적 성질
| XLogP | 1.2 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 74.6 |
| 물질 분류 | Nitrogen Compounds -> Amines, Aromatic |
| 증기압 | 0.5 [mmHg]0.5 mm Hg ( 20 °C) |
| Physical Description | Colorless hygroscopic liquid[Sigma-Aldrich MSDS] |
| 녹는점 | -10 °C |
| 끓는 점 | 187 °C(lit.) |
| 밀도 | 0.94 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.526(lit.) |
| 인화점 | 175 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 42g/L |
| pKa(산도 계수) | 9.04±0.10(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| pH | >7 (H2O, 20°C) (undiluted) |
| 용해도 | 약간 용해됨 |
| Merck | 14,6026 |
| BRN | 2204907 |
| InChI | 1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1 |
| InChIKey | RQEUFEKYXDPUSK-ZETCQYMHSA-N |
| SMILES | C[C@H](N)c1ccccc1 |
| LogP(분배 계수) | 1.31 at 25℃ |
| NIST | Benzenemethanamine, «alpha»-methyl-, (S)-(2627-86-3) |
| EPA | Benzenemethanamine, .alpha.-methyl-, (.alpha.S)- (2627-86-3) |
화학적 성질
Colorless to light yellow liqui
안전 및 규제
| GHS 분류 | DangerH302+H312 (68.5%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 644 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzenemethanamine, .alpha.-methyl-, (S)-Status: Active Update: 07-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30042(S)-(-)-1-Phenylethylamine: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Causes burnsHarmful by ingestion and skin absorption[ECHA REACH Registrations] Causes burnsInhalation may cause corrosive injuries to upper respiratory tractHarmful by ingestionToxic by skin absorption[Sigma-Aldrich MSDS] See N-Methylbenzylamine. |
| Hazard Classes and Categories | Acute Tox. 4 (99.7%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DP5775000 |
| 운송 번호(UN) | UN 2922 8/PG 2 |
| 독성 | LD50 orally in Rabbit: 980 mg/kg LD50 dermal Rabbit 730 mg/kg |
| 관세 코드 | 29214980 |
| 위험 문구(R) | 21/22-34-35 |
| 위험 표시 | C,Xi |
| 안전 문구(S) | 26-28-36/37/39-45-28A-27 |
용도
용도
L-1-Phenylethylamine can be used in a one-pot, multi-component synthesis of a highly substituted, chiral pyrrole
일반 설명
(S)-()-α-Methylbenzylamine is a chiral derivatizing agent, which is employed for derivatizing enantiomers into diastereoisomers.