1-아미노-4-미틸피페라진
1-아미노-4-미틸피페라진 · 1-피퍼파진아민,4-메틸피퍼라진 · 1-아미노-4-메틸피페라진 · 4-methylpiperazin-1-amine · AMPRZ · 1A4MP · 1-Amino-4-Methyl · TIMTEC-BB SBB004299
식별자 및 물리적 특성
| CAS No. | 6928-85-4 |
|---|---|
| 분자식 | C5H13N3 |
| 평균 분자량 | 115.18 g/mol |
| 단동위원소 질량 | 115.11094742 g/mol |
| SMILES | CN1CCN(N)CC1 |
| InChIKey | RJWLLQWLBMJCFD-UHFFFAOYSA-N |
| PubChem CID | 81349 |
| ChEMBL | CHEMBL3560514 |
| ChEBI | CHEBI:230450 |
| EC No. | 230-053-7 |
| DTXSID | DTXSID3057808 |
| 현지명 | 1-아미노-4-미틸피페라진 |
화학 및 물리적 성질
| XLogP | -1.1 |
|---|---|
| 극성 표면적 | 32.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 66.1 |
| 물질 분류 | Nitrogen Compounds -> Piperazines |
| Physical Description | Colorless liquid[Sigma-Aldrich MSDS] |
| 끓는 점 | 172-175 °C (lit.) |
| 밀도 | 0.957 g/mL at 25 °C (lit.) |
| 증기압 | 1.29hPa at 25℃ |
| 굴절률 | 1.4835-1.4855 |
| 인화점 | 62 °C |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | 물에 용해 |
| 물리적 상태 | 점성 용액 |
| pKa(산도 계수) | 7+-.0.42(Predicted) |
| 색상 | 투명한 |
| 용해도 | 혼용 가능 |
| BRN | 103334 |
| InChI | 1S/C5H13N3/c1-7-2-4-8(6)5-3-7/h2-6H2,1H3 |
| InChIKey | RJWLLQWLBMJCFD-UHFFFAOYSA-N |
| SMILES | CN1CCN(N)CC1 |
| LogP(분배 계수) | -1.61 at 25℃ |
| NIST | 1-Amino-4-methylpiperazine(6928-85-4) |
화학적 성질
clear colorless to light yellow liquid
안전 및 규제
| GHS 분류 | WarningH302 (32%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 125 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 1-Piperazinamine, 4-methyl-Status: Active Update: 16-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/197741-Amino-4-methylpiperazine: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | A skin and strong eye irritantHarmful by ingestion, inhalation, and skin absorption[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (32%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | 2733 |
| 관세 코드 | 29335995 |
| 위험 문구(R) | 36/37/38-20/21/22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 24/25-36-26 |
| 포장분류 | III |
| 위험 등급 | 3Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 기존화학 물질 | KE-23436 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
1-Amino-4-methylpiperazine has been used:in synthesis of pyrazolo-pyrazine, -pyridine derivatives and 2-[(4-methylpiperazin-1-yl)iminomethyl]phenolas a solvating and stabilizing agent in the preparation of uniform Ag nanoparticles (<10nm)synthesis of N-(4-Fluorobenzylidene)-4-methylpiperazin1-aminesynthesis of 4-Methyl-N-(3,4,5-trimethoxybenzylidene) piperazin-1-aminesynthesis of N-(3,4-Dichlorobenzylidene)-4- methylpiperazin-1-aminesynthesis of N-(4-(Diethylamino)benzylidene)-4- methylpiperazin-1-aminesynthesis of N-(2,5-Dimethoxybenzylidene)-4- methylpiperazin-1-aminesynthesis of 4-Methyl-N-((5-nitrofuran-2- yl)methylene)piperazin-1-amine
제조 및 합성 방법
제조 방법
1-Amino-4-methylpiperazine is obtained from piperazine hexahydrate through the steps of methylation, hydrolysis, nitrosation and reduction.1-Amino-4-methylpiperazine is synthesized by chlorination of methyl(diethanol)amine (I) and subsequent cyclization of the di(chloroethyl)amine (II) obtained in aqueous hydrazine.