Ethyl 2-hydrazinyl-2-oxoacetate

HCID 2786935

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基本情報

CAS: 35196-48-6
標準SMILES: CCOC(=O)C(=O)NN
InChIKey: KGGHFXZJDYAHAE-UHFFFAOYSA-N
分子式: C4H8N2O3
平均分子量: 132.12 g/mol
単同位体質量: 132.05349212

名称と識別子

優先名称: Ethyl 2-hydrazinyl-2-oxoacetate
IUPAC: ethyl 2-hydrazinyl-2-oxoacetate
英語名: ethyl 2-hydrazinyl-2-oxoacetate
分子式: C4H8N2O3
分子量: 132.12

名称と別名

ethyl 2-hydrazinyl-2-oxoacetateDTXSID30383050RefChem:1084800DTXCID0033407435196-48-6MFCD05665958ethyl (hydrazinecarbonyl)formateEthyl 2-Hydrazino-2-oxoacetateEthyl hydrazino(oxo)acetateEthanedioic acid 1-ethyl ester 2-hydrazideethyl 2-hydrazino-2-oxo-acetateEthyl carbazoylformate

名称をさらに表示

Ethyl hydrogen oxalateEthyl 2-hydrazinyl-2-oxoacetate 97%Oxalic acid monoethyl ester hydrazide

Ethyl oxalyl hydrazideEthanedioic acid, monoethyl ester, hydrazideMonoethyl oxalate hydrazideEthyl hydrazinyl(oxo)acetateethyl2-hydrazinyl-2-oxoacetateSCHEMBL1653979Ethyl hydrogen oxalate hydrazideethyl 2-hydrazineyl-2-oxoacetate

データベース識別子

CAS: 35196-48-6
PubChem CID: 2786935
DTXSID: DTXSID30383050

物性

構造計算による物性

XLogP: 0
極性表面積: 81.4 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: 9
形式電荷: 0
複雑度: 123

物理化学的性質

融点: 50 · 50-52℃
比重(密度): 1.227 · 1.227
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
溶解性: クロロホルム（微量）、DMSO（微量）、酢酸エチル（微量）
外見: 個体
酸解離定数(Pka): 10.52 · 10.52±0.20(Predicted)
色: オフホワイト
InChI: InChI=1S/C4H8N2O3/c1-2-9-4(8)3(7)6-5/h2,5H2,1H3,(H,6,7)
InChIKey: KGGHFXZJDYAHAE-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(NN)=O

化学的性質 · 1 件

化学的特性Ethyl 2-hydrazinyl-2-oxoacetate molecular formula is C₄H₈N₂O₃, with a molecular weight of 132.12 g/mol. It is a solid powder at room temperature, with a melting point ranging between 45-53°C. It has two hydrogen bond donors and four hydrogen bond acceptors, exhibits certain water solubility, and needs to be stored sealed at -20°C to ensure stability.