티오펜에탄아민
2-(thiophen-2-yl)ethan-1-aMine · 2-THIOPHENEETHYLAMINE · 2-(2-AMINOETHYL)THIOPHENE · Thiophen-2-ylacetyl chloride · 2-Thien-2-yL · ThiopheneEthaMine · RARECHEM AL BW 0099 · 2-Thiopheneethamine
식별자 및 물리적 특성
| CAS No. | 30433-91-1 |
|---|---|
| 분자식 | C6H9NS |
| 평균 분자량 | 127.21 g/mol |
| 단동위원소 질량 | 127.04557029 g/mol |
| SMILES | NCCc1cccs1 |
| InChIKey | HVLUYXIJZLDNIS-UHFFFAOYSA-N |
| PubChem CID | 116521 |
| ChEMBL | CHEMBL252803 |
| EC No. | 250-196-9 |
| DTXSID | DTXSID60952773 |
화학 및 물리적 성질
| XLogP | 1 |
|---|---|
| 극성 표면적 | 54.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 65.5 |
| 녹는점 | 202 °C |
| 끓는 점 | 200-201 °C/750 mmHg (lit.) |
| 밀도 | 1.087 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.551(lit.) |
| 인화점 | 190 °F |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | DMSO및메탄올에 용해됨 |
| pKa(산도 계수) | 9.47±0.10(Predicted) |
| 물리적 상태 | 액체 |
| 비중 | 1.087 |
| 색상 | 무색~황색 |
| BRN | 106962 |
| InChI | 1S/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2 |
| InChIKey | HVLUYXIJZLDNIS-UHFFFAOYSA-N |
| SMILES | NCCc1cccs1 |
화학적 성질
A colorless to yellow liquid with unstable properties requiring protection with nitrogen gas. It appears as a light yellow clear liquid, but turns red upon prolonged exposure.
안전 및 규제
| GHS 분류 | DangerH302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
|---|---|
| 규제 정보 | Status: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12301 |
| Hazard Classes and Categories | Acute Tox. 4 (87.2%)Skin Corr. 1B (100%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | NA 1993 / PGIII |
| 관세 코드 | 29339900 |
| 위험 문구(R) | 20/21/22-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 26-36-37/39 |
| 포장분류 | II |
| 위험 등급 | 8Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
[2-(Thiophene-2-yl)ethyl]amine is used in the synthesis of geldanamycin derivatives as HCV replication inhibitors targetting Hsp90.
일반 설명
2-Thiopheneethylamine (2-(thiophen-2-yl)ethanamine) is an aromatic amine. It undergoes microwave induced condensation with iminodiacetic acid to form the corresponding piperazine-2,6-dione derivatives. Its effect as a probable substitute to the pyridine ligand on the performance of poly(3-hexylthiophene)/CdSe hybrid solar cells has been investigated.