CAS 21655-48-1 rel-(2R,6S)-2,6-dimethylpiperazine (HCID 6950261)

基本情報

CAS: 21655-48-1
標準SMILES: C[C@@H]1CNC[C@H](C)N1
InChIKey: IFNWESYYDINUHV-OLQVQODUSA-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: rel-(2R,6S)-2,6-dimethylpiperazine
IUPAC: (2R,6S)-2,6-dimethylpiperazine
現地名: cis-2,6-ジメチルピペラジン
英語名: cis-2,6-Dimethylpiperazine
分子式: C6H14N2
分子量: 114.19

名称と別名

21655-48-1rel-(2R,6S)-2,6-DimethylpiperazineRefChem:178782606-812-7cis-2,6-Dimethylpiperazine(2R,6S)-2,6-dimethylpiperazineCIS-2,6-DIMETHYL-PIPERAZINE(2S,6R)-2,6-dimethylpiperazine(cis)-2,6-dimethylpiperazineMFCD077724351013625-96-1Cis-2,6-dimethyl piperazine

名称をさらに表示

cis-2,6-ジメチルピペラジンシス-2,6-ジメチルピペラジンシスー2,6-ジメチルピペラジン(2R,6S)-2,6-ジメチルピペラジン2β,6β-ジメチルピペラジン2α,6α-ジメチルピペラジンAILDE-003cis-2,6-DimethyL2,6DIMETHYLPIPRAZINE2,6-Dimethylpiperazicis-2,6-DiMethylpiperObifloxacin EP Impurity Ecis-3,5-DiMethylpiperazineOrbifloxacin EP Impurity E

(2S,6R)-rel-2,6-Dimethylpiperazine; cis-3,5-Dimethylpiperazine;Piperazine, 2,6-dimethyl-, (2R,6S)-rel-(2r,6s)-rel-2,6-dimethylpiperazineVZ66VRZ5VR2,6-Dimethylpiperazine #2,6-cis-dimethylpiperazinecis 2,6-dimethylpiperazinecis-2,6 dimethylpiperazine

データベース識別子

CAS: 21655-48-1
PubChem CID: 6950261
DTXSID: DTXSID301296263
UNII: VZ66VRZ5VR
EC Number: 606-812-7
Nikkaji: J837.758H

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: 64.9

物理化学的性質

融点: 108 · 108-111 °C(lit.)
沸点: 162 °C · 162 °C(lit.)
比重(密度): 0.914 · 0.9140 (estimate)
屈折率: 1.4628 · 1.4628 (estimate)
闪点: 113 °F · 113 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
水溶解度: Completely soluble in water
溶解性: Chloroform (Sparingly), Methanol (Slightly)
外見: powder to crystal
酸解離定数(Pka): 9.38 · 9.38±0.60(Predicted)
色: White to Orange to Green
InChI: InChI=1/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3/t5-,6+
InChIKey: IFNWESYYDINUHV-OLQVQODUNA-N
SMILES: C[C@@H]1CNC[C@@H](N1)C |&1:1,5,r|
CAS データベース: 21655 · 21655-48-1(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.