(2R,6S)-1,2,6-Trimethylpiperazine

HCID 30720221

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 147539-61-5
標準SMILES: C[C@@H]1CNC[C@H](C)N1C
InChIKey: QHVYJSBQXIIROJ-KNVOCYPGSA-N
分子式: C7H16N2
平均分子量: 128.22 g/mol

名称と識別子

優先名称: (2R,6S)-1,2,6-Trimethylpiperazine
IUPAC: (2S,6R)-1,2,6-trimethylpiperazine
英語名: Piperazine, 1,2,6-trimethyl-, (2R,6S)-rel- (9CI)
分子式: C7H16N2
分子量: 128.22

名称と別名

147539-61-5(2R,6S)-1,2,6-TRIMETHYLPIPERAZINERefChem:397677837-958-1cis-1,2,6-trimethylpiperazine(2r,6s)-rel-1,2,6-trimethylpiperazinePiperazine, 1,2,6-trimethyl-, (2R,6S)-rel-MFCD19217030(2s,6r)-1,2,6-trimethylpiperazinePiperazine, 1,2,6-trimethyl-, (2R,6S)-rel- (9CI)2387446-01-5SCHEMBL63773

名称をさらに表示

1,2,6-TriMethyl piperazinerel-(2R,6S)-1,2,6-Trimethylpiperazine(3r,5s)-rel-1,2,6-trimethylpiperazinePiperazine,1,2,6-trimethyl-, (2R,6S)-rel-

cis-3,4,5-trimethylpiperazineSCHEMBL1887413cis-1,2,6-trimethyl piperazinecis-3,4,5-trimethyl-piperazineQHVYJSBQXIIROJ-KNVOCYPGSA-NXFA53961AKOS006351305PB38938

データベース識別子

CAS: 147539-61-5
PubChem CID: 30720221
EC Number: 837-958-1

物性

構造計算による物性

XLogP: 0.5
極性表面積: 15.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 82.9

物理化学的性質

沸点: 154 · 154.0±8.0 °C(Predicted)
比重(密度): 0.835 · 0.835±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 9.48 · 9.48±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, 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.