1-아미노-4-미틸피페라진
1-Amino-4-methylpiperazine
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기본 정보
- CAS
6928-85-4- 표준 SMILES
CN1CCN(N)CC1- InChIKey
RJWLLQWLBMJCFD-UHFFFAOYSA-N- 분자식
- C5H13N3
- 평균 분자량
- 115.18 g/mol
- 단동위원소 질량
- 115.11094742
개요
1-Amino-4-methylpiperazine is an organic molecular entity.
이름 및 식별자
- 우선 이름
- 1-Amino-4-methylpiperazine
- IUPAC
- 4-methylpiperazin-1-amine
- 현지명
- 1-아미노-4-미틸피페라진
- 영어명
- 1-Amino-4-methylpiperazine
- 분자식
- C5H13N3
- 분자량
- 115.18
이름 및 동의어
1-Amino-4-methylpiperazine6928-85-44-Methyl-1-piperazinamineDTXSID3057808J5GBT1LFT21-amino 4-methylpiperazineNSC-80649DTXCID1031597RefChem:74882230-053-74-Methylpiperazin-1-amine1-Piperazinamine, 4-methyl-
이름 더 보기
1-아미노-4-미틸피페라진1-피퍼파진아민,4-메틸피퍼라진1-아미노-4-메틸피페라진AMPRZ1A4MP1-Amino-4-MethylTIMTEC-BB SBB004299AMINOMETHYLPIPERAZINELABOTEST-BB LT000050821-piperazinylmethanamine1-AMINO-4-METHYLPIERAZINE
1-methyl-4-aminopiperazine1-Methyl-4-aminopierazine4-methyl-1-aminopiperazineUNII-J5GBT1LFT2MFCD000061544-amino-1-methylpiperazinen-amino-n'-methylpiperazine4-methylpiperazin-1-ylamine
데이터베이스 식별자
- CAS
6928-85-4- PubChem CID
- 81349
- DTXSID
DTXSID3057808- ChEMBL
CHEMBL3560514- ChEBI
CHEBI:230450- UNII
- J5GBT1LFT2
- EC Number
- 230-053-7
- Nikkaji
- J38.964A
물성
구조 계산 물성보충 중
- XLogP
- -1.1
- 극성 표면적
- 32.5 Ų
- 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
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Piperazines
Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 끓는 점
- 172 · 172-175 °C (lit.)
- 밀도
- 0.957 g/mL · 0.957 g/mL at 25 °C (lit.)
- 증기압
- 1.29 hPa · 1.29hPa at 25℃
- 굴절률
- 1.4835 · 1.4835-1.4855
- 인화점
- 62 °C · 62 °C
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 물에 용해
- 물리적 상태
- 점성 용액
- 산도 계수 (pKa)
- 7 · 7+-.0.42(Predicted)
- 색상
- 투명한
- 수용성
- 혼용 가능
- BRN
- 103334 · 103334
- InChI
- 1S/C5H13N3/c1-7-2-4-8(6)5-3-7/h2-6H2,1H3
- InChIKey
- RJWLLQWLBMJCFD-UHFFFAOYSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (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.
유해성 정보
Regulatory Information
Chemical: 1-Piperazinamine, 4-methyl-
Status: Active Update: 16-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19774
1-Amino-4-methylpiperazine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (32%)
안전 데이터
- wgk
- 3
- ridadr
- 2733
- HS 번호
- 2933599090
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 24/25-36-26
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-23436
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
화학 및 산업
응용 분야
용도1-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 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.
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