2,5-ジメチルピペラジン

2,5-Dimethylpiperazine

HCID 7816CAS 106-55-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1CNC(C)CN1
InChIKey: NSMWYRLQHIXVAP-UHFFFAOYSA-N
分子式: C6H14N2
平均分子量: 114.19 g/mol
単同位体質量: 114.11569845

名称と識別子

優先名称: 2,5-Dimethylpiperazine
IUPAC: 2,5-dimethylpiperazine
現地名: 2,5-ジメチルピペラジン
英語名: 2,5-Dimethylpiperazine
分子式: C6H14N2
分子量: 114.19

名称と別名

2,5-DIMETHYLPIPERAZINEPiperazine, 2,5-dimethyl-EINECS 203-409-4BRN 00798851119702-25-8UNII-ZIZ1G1N25SZIZ1G1N25SDTXSID708617215-23-03-00304 (Beilstein Handbook Reference)RefChem:82970DTXCID60810607203-409-4

名称をさらに表示

2,5-ジメチルピペラジン2,5-ジメチルピレラジンAids060673Aids-060673TIMTEC-BB SBB0043032,5-dimethyl-piperazin2,5-Dimethylpiperazine,c&t(2R,5S)-2,5-DiMethyl-piperazinecis-trans-2,5-Dimethyl piperazine2,5-Dimethylpiperazine ISO 9001：2015 REACH

818-483-9106-55-8MFCD000059552,5-dimethylpiperazine, trans6284-84-0(2R,5R)-2,5-DIMETHYL-PIPERAZINEPiperazine, 2,5-dimethyl-, cis-2,5-dimethyl piperazine

データベース識別子

CAS: 106-55-8、1119702-25-8
PubChem CID: 7816
DTXSID: DTXSID70861721
EC Number: 203-409-4、818-483-9
Nikkaji: J39.129H

物性

構造計算による物性

XLogP: 0
極性表面積: 24.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 62.9

物理化学的性質

融点: 113 · 113-118 °C
沸点: 162 · 162-165 °C
比重(密度): 0.53 · 0.53
屈折率: 1.4628 · 1.4628 (estimate)
闪点: 58 °C · 58 °C
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 9.66 · 9.66(at 25℃)
InChI: InChI=1S/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3
InChIKey: NSMWYRLQHIXVAP-UHFFFAOYSA-N
SMILES: N1CC(C)NCC1C
CAS データベース: 106 · 106-55-8(CAS DataBase Reference)
NISTの化学物質情報: 2 · Piperazine, 2,5-dimethyl-(106-55-8)
EPAの化学物質情報: 2 · Piperazine, 2,5-dimethyl- (106-55-8)

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H228 (50%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P260, P262, P264, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P361+P364, P363, P370+P378, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

危険有害性情報

Regulatory Information · 2 件

Chemical: Piperazine, 2,5-dimethyl-

Piperazine, 2,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 件

Flam. Sol. 1 (50%)

Flam. Sol. 1 (100%)

安全データ

tsca: TSCA listed
毒性: rabbit,LD50,skin,800uL/kg (0.8mL/kg),AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
risk_code: 34-21-11
hazard_code: C-F
safety_code: 45-36/37/39-26-16

化学と産業

用途と製造

General Manufacturing InformationPiperazine, 2,5-dimethyl-: ACTIVE

応用分野

使用Trans-2,5-dimethylpiperazine is primarily as a monomer for synthesizing a specific polyamide polymer, which is then used as a material for reverse osmosis membranes.[1]