CAS 688363-66-8 1-Boc-2,6-dimethylpiperazine (HCID 22219926)

基本情報

CAS: 688363-66-8
標準SMILES: CC1CNCC(C)N1C(=O)OC(C)(C)C
InChIKey: RBOGBIZGALIITO-UHFFFAOYSA-N
分子式: C11H22N2O2
平均分子量: 214.3 g/mol
単同位体質量: 214.16812794

名称と識別子

優先名称: 1-Boc-2,6-dimethylpiperazine
IUPAC: tert-butyl 2,6-dimethylpiperazine-1-carboxylate
現地名: 1-BOC-2,6-ジメチルピペラジン
英語名: 1-Boc-2,6-dimethyl-piperazine
分子式: C11H22N2O2
分子量: 214.3

名称と別名

1-Boc-2,6-dimethylpiperazineRefChem:430062874-933-4688363-66-81-BOC-2,6-DIMETHYL-PIPERAZINEtert-butyl 2,6-dimethylpiperazine-1-carboxylateMFCD07371653trans-1-Boc-2,6-dimethyl-piperazine1575591-48-8(2S,6S)-1-Boc-2,6-dimethyl-piperazine1-PIPERAZINECARBOXYLIC ACID, 2,6-DIMETHYL-, 1,1-DIMETHYLETHYL ESTERSCHEMBL996020

名称をさらに表示

1-BOC-2,6-ジメチルピペラジン1-Boc-2,6-diMethylpiperaz...tert-Butyl 2,6-dimethyl-1-piperazinecarboxylate1,1-Dimethylethyl 2,6-dimethyl-1-piperazinecarboxylate2,6-Dimethyl-1-piperazinecarboxylic acid tert-butyl ester2,6-Dimethyl-piperazine-1-carboxylic acid tert-butyl ester

SCHEMBL8827700DTXSID10623507RBOGBIZGALIITO-UHFFFAOYSA-Ncis-1-Boc-2,6-dimethyl-piperazineAKOS016004707CS-W021299PB25142PB26268

データベース識別子

CAS: 688363-66-8
PubChem CID: 22219926
DTXSID: DTXSID10623507
EC Number: 874-933-4

物性

構造計算による物性

XLogP: 1.3
極性表面積: 41.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 225

物理化学的性質

沸点: 279.7 · 279.7±15.0 °C(Predicted)
比重(密度): 0.97 · 0.970±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 8.53 · 8.53±0.60(Predicted)
InChI: InChI=1S/C11H22N2O2/c1-8-6-12-7-9(2)13(8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3
InChIKey: RBOGBIZGALIITO-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)C(C)CNCC1C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.