1-Amino-4-methylpiperazine (HCID 81349)

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 물성

XLogP: -1.1
극성 표면적: 32.5 Å²
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
SMILES: CN1CCN(N)CC1
LogP: -1.61 at · -1.61 at 25℃
NIST: 1 · 1-Amino-4-methylpiperazine(6928-85-4)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 3건

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: 29335995
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
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

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 · 1건

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.