1781-78-8 ((Hydrazinecarboximidamide,2-(1-[1,1'-biphenyl]-4-ylethylidene)-, hydrochloride (1:1))

快速询单

结构式：

Hydrazinecarboximidamide,2-(1-[1,1'-biphenyl]-4-ylethylidene)-, hydrochloride (1:1)MOL文件

CAS号：

1781-78-8

英文名称：

Hydrazinecarboximidamide,2-(1-[1,1'-biphenyl]-4-ylethylidene)-, hydrochloride (1:1)

分子式：

C₈H₁₂

分子量：

108.180882453918

Hydrazinecarboximidamide,2-(1-[1,1'-biphenyl]-4-ylethylidene)-, hydrochloride (1:1)(1781-78-8)名称与标识符

名称

英文别名：

Hydrazinecarboximidamide,2-(1-[1,1'-biphenyl]-4-ylethylidene)-, hydrochloride (1:1);Cyclooctyne;Q3676516;DTXSID50170424;UNII-35MR2L5G3W;CHEBI:37815;CYCLOOCTYNE [MI];InChI=1/C8H12/c1-2-4-6-8-7-5-3-1/h1-6H;1-Cyclooctyne;35MR2L5G3W;1-Cyclooctyne #;1781-78-8;

标识符

InChIKey：

ZPWOOKQUDFIEIX-UHFFFAOYSA-N

Inchi：

1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-6H2

SMILES：

C1CCC#CCCC1

Hydrazinecarboximidamide,2-(1-[1,1'-biphenyl]-4-ylethylidene)-, hydrochloride (1:1)(1781-78-8)物化性质

实验特性

PSA : 0
折射率 : nD20 1.4876
沸点 : bp740 157.5-158°; bp20 50-55°
熔点 : -34° to-32°
闪点 : 34.7°C
密度 : d420 0.868

计算特性

精确分子量 : 108.09396
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 0
同位素质量 : 108.094
重原子数量 : 8
复杂度 : 98.5
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.2
拓扑分子极性表面积 : 0Å²

Hydrazinecarboximidamide,2-(1-[1,1'-biphenyl]-4-ylethylidene)-, hydrochloride (1:1)(1781-78-8)相关文献

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2. Cyclooctyne-based reagents for uncatalyzed click chemistry: A computational survey
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3. The formation of benzoxacin-3-ones via intramolecular Nicholas reactions and synthesis of 8-membered heliannuols
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4. SPAAC iClick: progress towards a bioorthogonal reaction in-corporating metal ions
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5. Orthogonal, metal-free surface modification by strain-promoted azide–alkyne and nitrile oxide–alkene/alkyne cycloadditions
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6. Strain-promoted azide–alkyne cycloaddition for protein–protein coupling in the formation of a bis-hemoglobin as a copper-free oxygen carrier
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7. Bioorthogonal labelling of biomolecules: new functional handles and ligation methods
Marjoke F. Debets,Jan C. M. van Hest,Floris P. J. T. Rutjes Org. Biomol. Chem. 2013 11 6439
8. Study and application of noncatalyzed photoinduced conjugation of azides and cycloocta-1,2,3-selenadiazoles
P. Jedináková,P. ?ebej,T. Slanina,P. Klán,J. Hlavá? Chem. Commun. 2016 52 4792
9. Fast RNA conjugations on solid phase by strain-promoted cycloadditions
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10. Solid phase strain promoted “click” modification of DNAvia[3+2]-nitrile oxide–cyclooctyne cycloadditions
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