Methyl 3-((2-(tert-butoxy)-2-oxoethyl)amino)propanoate

HCID 14845245

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基本情報

CAS: 131545-52-3
標準SMILES: COC(=O)CCNCC(=O)OC(C)(C)C
InChIKey: PWUQRVBCAROKBZ-UHFFFAOYSA-N
分子式: C10H19NO4
平均分子量: 217.26 g/mol

名称と識別子

優先名称: Methyl 3-((2-(tert-butoxy)-2-oxoethyl)amino)propanoate
IUPAC: methyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
英語名: Methyl 3-([2-(tert-butoxy)-2-oxoethyl]amino)propanoate
分子式: C10H19NO4
分子量: 217.26

名称と別名

131545-52-3Methyl 3-((2-(tert-butoxy)-2-oxoethyl)amino)propanoateMethyl 3-([2-(tert-butoxy)-2-oxoethyl]amino)propanoatemethyl 3-{[2-(tert-butoxy)-2-oxoethyl]amino}propanoateRefChem:814708889-064-63-(tert-butoxycarbonylmethyl-amino)-propionic acid methyl estermethyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoateSCHEMBL5884644PWUQRVBCAROKBZ-UHFFFAOYSA-NAKOS009050823EN300-381097

名称をさらに表示

β-Alanine, N-[2-(1,1-dimethylethoxy)-2-oxoethyl]-, methyl ester

F497838methyl 3-[(2-tert-butoxy-2-oxo-ethyl)amino]propanoateMethyl3-((2-(tert-butoxy)-2-oxoethyl)amino)propanoate

データベース識別子

CAS: 131545-52-3
PubChem CID: 14845245
EC Number: 889-064-6

物性

構造計算による物性

XLogP: 0.5
極性表面積: 64.6 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 8
重原子数: 15
形式電荷: 0
複雑度: 220

物理化学的性質

沸点: 281 · 281.0±25.0 °C(Predicted)
比重(密度): 1.037 · 1.037±0.06 g/cm3(Predicted)
酸解離定数(Pka): 6.32 · 6.32±0.20(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)

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.