CAS 288154-18-7 tert-Butyl 4-amino-4-carbamoylpiperidine-1-carboxylate (HCID 10562199)

基本情報

CAS: 288154-18-7
標準SMILES: CC(C)(C)OC(=O)N1CCC(N)(C(N)=O)CC1
InChIKey: REYFNZOBKWUTGR-UHFFFAOYSA-N
分子式: C11H21N3O3
平均分子量: 243.3 g/mol
単同位体質量: 243.15829153

名称と識別子

優先名称: tert-Butyl 4-amino-4-carbamoylpiperidine-1-carboxylate
IUPAC: tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate
現地名: 4-アミノ-4-カルバモイルピペリジン-1-カルボン酸TERT-ブチル
英語名: 4-Amino-1-Boc-piperidine-4-carboxamide
分子式: C11H21N3O3
分子量: 243.3

名称と別名

288154-18-7tert-Butyl 4-amino-4-carbamoylpiperidine-1-carboxylateDTXSID40441796RefChem:893951DTXCID80392617863-148-24-AMINO-1-BOC-PIPERIDINE-4-CARBOXAMIDEMFCD041144771-Piperidinecarboxylic acid, 4-amino-4-(aminocarbonyl)-, 1,1-dimethylethyl estertert-butyl 4-amino-4-(aminocarbonyl)piperidine-1-carboxylate;1-Boc-4-aminopiperidine-4-carboxamideSCHEMBL849290tert-Butyl4-amino-4-carbamoylpiperidine-1-carboxylate

名称をさらに表示

4-アミノ-4-カルバモイルピペリジン-1-カルボン酸TERT-ブチル1-Boc-4-aMinopiperidine-4-carboxaMide1-Boc-4-amino-4-(aminocarbonyl)piperidine4-chloro-2,3-dihydro-1H-indene-5-carboxylicacid4-amino-4-carbamoyl-1-piperidinecarboxylic acid tert-butyl estertert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate - [B86394]

Tert-butyl 4-amino-4-carbamoyl-piperidine-1-carboxylateREYFNZOBKWUTGR-UHFFFAOYSA-NCL8006AKOS015854675AB18433FA52016SS-4336SY066023

物性

構造計算による物性

XLogP: -0.5
極性表面積: 98.7 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 17
形式電荷: 0
複雑度: 314

物理化学的性質

沸点: 410.8 · 410.8±45.0 °C(Predicted)
比重(密度): 1.163 · 1.163±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): 15.8 · 15.80±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.