N-(2-아미노에틸)피페리딘
N-(2-아미노에틸)피페리딘 · 1-(2-AMINOETHYL)PIPERIDINE · 2-(PIPERIDIN-1-YL)ETHANAMINE · RARECHEM AL BW 0414 · LABOTEST-BB LT02100617 · 2-PIPERIDINOETHYLAMINE · 2-Piperidinoethanamine · AMINO ETHYL PIPERIDINE
식별자 및 물리적 특성
| CAS No. | 27578-60-5 |
|---|---|
| 분자식 | C7H16N2 |
| 평균 분자량 | 128.22 g/mol |
| 단동위원소 질량 | 128.13134851 g/mol |
| SMILES | NCCN1CCCCC1 |
| InChIKey | CJNRGSHEMCMUOE-UHFFFAOYSA-N |
| PubChem CID | 33944 |
| EC No. | 248-540-8 |
| DTXSID | DTXSID30181977 |
| 현지명 | N-(2-아미노에틸)피페리딘 |
화학 및 물리적 성질
| XLogP | 0.4 |
|---|---|
| 극성 표면적 | 29.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 67.3 |
| 녹는점 | 67-70 °C(Solv: ligroine (8032-32-4)dichloromethane (75-09-2)) |
| 끓는 점 | 186 °C(lit.) |
| 밀도 | 0.899 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.473(lit.) |
| 인화점 | 136 °F |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2–8 °C |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | pK1: 6.38pK2: 9.89 (30°C) |
| 색상 | 무색~황색으로 투명함 |
| 용해도 | 물에 부분적으로 섞임. |
| BRN | 103469 |
| InChI | InChI=1S/C7H16N2/c8-4-7-9-5-2-1-3-6-9/h1-8H2 |
| InChIKey | CJNRGSHEMCMUOE-UHFFFAOYSA-N |
| SMILES | N1(CCN)CCCCC1 |
| NIST | 1-Piperidineethanamine(27578-60-5) |
화학적 성질
CLEAR COLOURLESS TO YELLOW LIQUID
안전 및 규제
| GHS 분류 | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 2734 8/PG 2 |
| 관세 코드 | 29333990 |
| 위험 문구(R) | 34 |
| 위험 표시 | C,Xi |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | III |
| 위험 등급 | 3Flam. Liq. 3Skin Corr. 1B |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
1-(2-Aminoethyl)piperidine is used in modification of vinylbenzyl chloride/divinylbenzene gel copolymer bead and in the synthesis of linkage isomers trans-bis[1-(2-aminoethyl)piperidine]dinitronickel and trans-bis[1-(2-aminoethyl)-piperidine]dinitritonickel. It is also used as a reactant for synthesis of: analogs of anticancer agents, inhibitor of botulinum neurotoxin serotype A light chain, P. falciparum malaria, and Ebola filovirus, cannabinoid CB1 receptor antagonists, small molecules that restore E-cadherin expression and reduce invasion in colorectal carcinoma cells, potent and selective 5-HT6 antagonists and N-mustards as anticancer agents. 1-(2-Aminoethyl)piperidine on [1+1] condensation reaction with 3-methoxy salicylaldehyde yields tridentate Schiff base ligand.
일반 설명
1-(2-Aminoethyl)piperidine on [1+1] condensation reaction with 3-methoxy salicylaldehyde yields tridentate Schiff base ligand.