1-Amino-4-methylpiperazine (HCID 81349)

概要

1-Amino-4-methylpiperazine is an organic molecular entity.

名称と識別子

優先名称: 1-Amino-4-methylpiperazine
IUPAC: 4-methylpiperazin-1-amine
現地名: 1-アミノ-4-メチルピペラジン
英語名: 1-Amino-4-methylpiperazine
分子式: C5H13N3
分子量: 115.18

名称と別名

1-Amino-4-methylpiperazine6928-85-44-Methyl-1-piperazinamineDTXSID3057808J5GBT1LFT21-amino 4-methylpiperazineNSC-80649DTXCID1031597RefChem:74882230-053-74-Methylpiperazin-1-amine1-Piperazinamine, 4-methyl-

名称をさらに表示

1-アミノ-4-メチルピペラジン1-メチルピペラジン-4-アミン4-メチル-1-ピペラジンアミン4-メチルピペラジン-1-アミン4-メチル-1-アミノピペラジン1-アミノー4-メチルーピペラジン1‐アミノ‐4‐メチルピペラジン1-メチル-4-アミノピペラジンAMPRZ1A4MP1-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

データベース識別子

CAS: 6928-85-4
PubChem CID: 81349
DTXSID: DTXSID3057808
ChEMBL: CHEMBL3560514
ChEBI: CHEBI:230450
UNII: J5GBT1LFT2
EC Number: 230-053-7
Nikkaji: J38.964A

物性

構造計算による物性

XLogP: -1.1
極性表面積: 32.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 66.1

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Piperazines

Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

物理化学的性質

沸点: 172 · 172-175 °C (lit.)
比重(密度): 0.957 g/mL · 0.957 g/mL at 25 °C (lit.)
蒸気圧: 1.29 hPa · 1.29hPa at 25℃
屈折率: 1.4835 · 1.4835-1.4855
闪点: 62 °C · 62 °C
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: 水溶性
外見: 粘性溶液
酸解離定数(Pka): 7 · 7+-.0.42(Predicted)
色: クリア
水溶解度: 混和性
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℃
CAS データベース: 6928 · 6928-85-4(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Amino-4-methylpiperazine(6928-85-4)

化学的性質

化学的特性clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

安全データ

wgk: 3
ridadr: 2733
hs_code: 29335995
risk_code: 36/37/38-20/21/22
化審法: 新規公示化学物質（2011年3月31日以前届出）
消防法: 危-4-3-III
hazard_code: Xi,Xn
safety_code: 24/25-36-26
hazard_class: 3
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用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

調製方法 · 1 件

製造方法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.