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4-(3-hydroxy-3-methylbut-1-ynyl)benzonitrile

更新时间:2025-09-14 10:48:59

4-(3-hydroxy-3-methylbut-1-ynyl)benzonitrile结构式
4-(3-hydroxy-3-methylbut-1-ynyl)benzonitrile结构式
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常用名 4-(3-hydroxy-3-methylbut-1-ynyl)benzonitrile 英文名 4-(3-hydroxy-3-methylbut-1-ynyl)benzonitrile
CAS号 80151-20-8 分子量 185.22200
密度 N/A 沸点 N/A
分子式 C12H11NO 熔点 N/A
MSDS N/A 闪点 N/A

 名称

英文名 4-(3-hydroxy-3-methylbut-1-ynyl)benzonitrile
英文别名 更多

 物理化学性质

分子式 C12H11NO
分子量 185.22200
精确质量 185.08400
PSA 44.02000
LogP 1.68068
InChIKey TVANBECCZHGWDQ-UHFFFAOYSA-N
SMILES CC(C)(O)C#Cc1ccc(C#N)cc1

 合成线路

~86%

4-(3-hydroxy-3-methylbut-1-ynyl)benzonitrile结构式

4-(3-hydroxy-3-...

80151-20-8

文献:Takasago International Corporation Patent: EP1167372 A1, 2002 ; Location in patent: Example 38 ;

~10%

4-(3-hydroxy-3-methylbut-1-ynyl)benzonitrile结构式

4-(3-hydroxy-3-...

80151-20-8

文献:Lin, Bo-Nan; Huang, Shao-Hsien; Wu, Wei-Yi; Mou, Chung-Yuan; Tsai, Fu-Yu Molecules, 2010 , vol. 15, # 12 p. 9157 - 9173

 靶点实验

查看更多实验

实验名称:Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:HCMV UL50
External Id:HMS1262
实验名称:Screen for inhibitors of RMI FANCM (MM2) intereaction
来源:11908
靶标:N/A
External Id:RMI-FANCM-MM2
实验名称:Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:ORF 73 [Human herpesvirus 8 type M]
External Id:HMS791
实验名称:High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS1303
实验名称:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
实验名称:A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:Chain A, Poliovirus Polymerase With Gtp
External Id:HMS750
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 英文别名

2-methyl-4-(4'-cyano)phenyl-3-butyn-2-ol
4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzonitrile
4-cyano-(3-hydroxy-3-methylbutynyl) benzene
HMS1665D12
4-(4-cyanophenyl)-2-methyl-3-butyne2-ol
Benzonitrile,4-(3-hydroxy-3-methyl-1-butynyl)
3-methyl-1-(4'-cyanophenyl)-1-butyn-3-ol
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