CAS 198627-86-0 tert-Butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate (HCID 18669061)

基本情報

CAS: 198627-86-0
標準SMILES: CC(C)(C)OC(=O)N1CCN(c2cccc(O)c2)CC1
InChIKey: MIQHJGPQPMQVOT-UHFFFAOYSA-N
分子式: C15H22N2O3
平均分子量: 278.35 g/mol
単同位体質量: 278.16304256

名称と識別子

優先名称: tert-Butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate
英語名: 1-(3-HYDROXY-PHENYL)-PIPERAZINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER
分子式: C15H22N2O3
分子量: 278.35

名称と別名

198627-86-0tert-butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylateDTXSID60595422RefChem:383491DTXCID50546185840-041-91-Boc-4-(3-hydroxyphenyl)piperazine1-(3-HYDROXY-PHENYL)-PIPERAZINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER1-BOC-4-(3-HYDROXY-PHENYL)-PIPERAZINEMFCD041150611-PIPERAZINECARBOXYLIC ACID, 4-(3-HYDROXYPHENYL)-, 1,1-DIMETHYLETHYL ESTER4-(3-Hydroxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

名称をさらに表示

1-(3-Hydroxy-phenyl)-piperazine-4-carboxylic acid tert-butyl ester - [H93064]

SCHEMBL1958401MIQHJGPQPMQVOT-UHFFFAOYSA-N4-(3-hydroxyphenyl)-1-piperazinecarboxylic acid tert-butyl esterAB87241-Piperazinecarboxylic acid, 4-(3-hydroxyphenyl)-, 1,1-dimethylethylesterAKOS024258350AB19542AS-44910

データベース識別子

CAS: 198627-86-0
PubChem CID: 18669061
DTXSID: DTXSID60595422
EC Number: 840-041-9
Nikkaji: J2.896.485D

物性

構造計算による物性

XLogP: 2.3
極性表面積: 53 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 20
形式電荷: 0
複雑度: 333

物理化学的性質

沸点: 435.8 · 435.8±40.0 °C(Predicted)
比重(密度): 1.167 · 1.167±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 10.33 · 10.33±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.