1-t-ブチルピペラジン

1-Tert-butylpiperazine

HCID 3530572

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 38216-72-7
標準SMILES: CC(C)(C)N1CCNCC1
InChIKey: PVMNSAIKFPWDQG-UHFFFAOYSA-N
分子式: C8H18N2
平均分子量: 142.24 g/mol
単同位体質量: 142.14699858

名称と識別子

優先名称: 1-Tert-butylpiperazine
IUPAC: 1-tert-butylpiperazine
現地名: 1-t-ブチルピペラジン
英語名: 1-tert-Butylpiperazine
分子式: C8H18N2
分子量: 142.24

名称と別名

1-tert-butylpiperazine38216-72-7DTXSID90393372RefChem:235444DTXCID80344232630-932-9N-tert-Butylpiperazine1-(tert-Butyl)piperazineN-t-ButylpiperazineMFCD000493591-tert-butyl-piperazine1-T-butyl piperazine

名称をさらに表示

1-t-ブチルピペラジンN‐TERT‐ブチルピペラジン1-TERT-ブチルピペラジンN-T-ブチルピペラジンＮ-tert-ブチルピペラジン1-T-BUTYLPIPERAZINE1-tert-Butylpiperazine,97%1-(tert-Butyl)piperazine 98+%1-(tert-Butyl)piperazine, tech1-(1,1-Dimethylethyl)piperazine2-Methyl-2-(piperazin-1-yl)propane

Piperazine, 1-(1,1-dimethylethyl)-tert-butylpiperazinetert-butyl piperazineN-t-butyl piperazine1-tert-butyl piperazine4-tert-butyl-piperazine1,1-dimethylethylpiperazineSCHEMBL104919

データベース識別子

CAS: 38216-72-7
PubChem CID: 3530572
DTXSID: DTXSID90393372
EC Number: 630-932-9

物性

構造計算による物性

XLogP: 0.6
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: 1
重原子数: 10
形式電荷: 0
複雑度: 98

物理化学的性質

融点: 32 · 32-35℃
沸点: 85 · 85-87℃/22mm
比重(密度): 0.89 · 0.890±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): 9.27 · 9.27±0.10(Predicted)
外見: 低融点固体
色: 無色～黄色
InChI: InChI=1S/C8H18N2/c1-8(2,3)10-6-4-9-5-7-10/h9H,4-7H2,1-3H3
InChIKey: PVMNSAIKFPWDQG-UHFFFAOYSA-N
SMILES: N1(C(C)(C)C)CCNCC1
CAS データベース: 38216 · 38216-72-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H400 (97.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.