2,5-二甲基哌嗪

2,5-Dimethylpiperazine

HCID 7816CAS 106-55-8

子结构检索查找相似结构

基本信息

标准SMILES: CC1CNC(C)CN1
InChIKey: NSMWYRLQHIXVAP-UHFFFAOYSA-N
分子式: C6H14N2
平均分子量: 114.19 g/mol
单同位素质量: 114.11569845

名称与标识

首选名称: 2,5-Dimethylpiperazine
IUPAC: 2,5-dimethylpiperazine
中文名: 2,5-二甲基哌嗪
英文名: 2,5-Dimethylpiperazine
分子式: C6H14N2
分子量: 114.19

名称与别名

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

展开更多名称

2,5-二甲基哌嗪2,5-二甲哌【口+井】2,5-二甲基哌嗪(顺,反式混合物)(2R,5S)-2,5 - 二甲基呱嗪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

数据库标识

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

性质

结构计算性质

XLogP: 0
极性表面积: 24.1 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 0
重原子: 8
形式电荷: 0
复杂度: 62.9

物理化学性质

熔点: 113 · 113-118 °C
沸点: 162 · 162-165 °C
密度: 0.53 · 0.53
折射率: 1.4628 · 1.4628 (estimate)
闪点: 58 °C · 58 °C
储存条件: 2 · 2-8°C
酸度系数(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 数据库: 106 · 106-55-8(CAS DataBase Reference)
NIST化学物质信息: 2 · Piperazine, 2,5-dimethyl-(106-55-8)
EPA化学物质信息: 2 · Piperazine, 2,5-dimethyl- (106-55-8)

安全与法规

GHS分类

GHS Classification · 6 条

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]

危害信息

Regulatory Information · 2 条

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 条

Flam. Sol. 1 (50%)

Flam. Sol. 1 (100%)

安全数据

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.
安全说明: 45-36/37/39-26-16
危险品标志: C-F
危险类别码: 34-21-11