CAS 301185-41-1 Tert-butyl 4-(prop-2-yn-1-yl)piperidine-1-carboxylate (HCID 18187546)

基本情報

CAS: 301185-41-1
標準SMILES: C#CCC1CCN(C(=O)OC(C)(C)C)CC1
InChIKey: CHTFWVDBUXUMCE-UHFFFAOYSA-N
分子式: C13H21NO2
平均分子量: 223.31 g/mol

名称と識別子

優先名称: Tert-butyl 4-(prop-2-yn-1-yl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-prop-2-ynylpiperidine-1-carboxylate
英語名: tert-butyl 4-(prop-2-ynyl)piperidine-1-carboxylate
分子式: C13H21NO2
分子量: 223.31

名称と別名

301185-41-1tert-Butyl 4-(prop-2-yn-1-yl)piperidine-1-carboxylateRefChem:893901860-921-6TERT-BUTYL 4-PROP-2-YNYLPIPERIDINE-1-CARBOXYLATEMFCD17676502tert-butyl 4-(prop-2-ynyl)piperidine-1-carboxylate1-Boc-4-(2-propyn-1-yl)piperidine1-PIPERIDINECARBOXYLIC ACID, 4-(2-PROPYN-1-YL)-, 1,1-DIMETHYLETHYL ESTERSCHEMBL926115orb3176803CHTFWVDBUXUMCE-UHFFFAOYSA-N

名称をさらに表示

4-(prop-2-yn-1-yl)piperidine-1-carboxylatetert-Butyl 4-(2-propynyl)piperidine-1-carboxylate

BMA18541ZB18511-Piperidinecarboxylic acid, 4-(2-propynyl)-, 1,1-dimethylethyl esterAKOS025296190AB71807AT119731-Boc-4-(prop-2-yn-1-yl)piperidineAS-77139

データベース識別子

CAS: 301185-41-1
PubChem CID: 18187546
EC Number: 860-921-6

物性

構造計算による物性

XLogP: 2.4
極性表面積: 29.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 287

物理化学的性質

貯蔵温度: 2 · 2-8°C

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.