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5984-58-7 (（）-1,5-二甲基己胺,()-1,5-dimethylhexylamine)

结构式：

（）-1,5-二甲基己胺结构式图片|5984-58-7结构式图片

（）-1,5-二甲基己胺MOL文件

CAS号：

5984-58-7

中文名称：

（）-1,5-二甲基己胺

英文名称：

()-1,5-dimethylhexylamine

分子式：

C₂₂H₂₄BrN₅O₂S

分子量：

502.427262306213

相关分类：

溶剂及有机化学品 > 有机化合物 > Organic nitrogen compounds > Organonitrogen compounds > Amines > Primary amines

（）-1,5-二甲基己胺(5984-58-7)名称与标识符

名称

英文别名：

()-1,5-dimethylhexylamine;N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(3-methylphenyl)carbamoyl]isoleucinamide;5984-58-7;OQEXHCZNOQFFEZ-UHFFFAOYSA-N;

标识符

InChIKey：

OQEXHCZNOQFFEZ-UHFFFAOYSA-N

Inchi：

1S/C22H24BrN5O2S/c1-4-14(3)18(25-21(30)24-17-10-5-7-13(2)11-17)19(29)26-22-28-27-20(31-22)15-8-6-9-16(23)12-15/h5-12,14,18H,4H2,1-3H3,(H2,24,25,30)(H,26,28,29)

SMILES：

BrC1=CC=CC(=C1)C1=NN=C(NC(C(C(C)CC)NC(NC2C=CC=C(C)C=2)=O)=O)S1

（）-1,5-二甲基己胺(5984-58-7)物化性质

实验特性

折射率 : 1.654
熔点 : 48.89°C
密度 : 1.438

计算特性

精确分子量 : 129.15175
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 4
同位素质量 : 129.15175
重原子数量 : 9
复杂度 : 59.6
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 : 1
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） : 5
拓扑分子极性表面积 : 26

（）-1,5-二甲基己胺(5984-58-7)相关文献

1. The role of amine ligands in governing film morphology and electrical properties of copper films derived from copper formate-based molecular inks
Chantal Paquet,Thomas Lacelle,Xiangyang Liu,Bhavana Deore,Arnold J. Kell,Sylvie Lafrenière,Patrick R. L. Malenfant Nanoscale 2018 10 6911
2. One-pot conversions of amines into olefins via non-isolated pyridinium intermediates
Alan R. Katritzky,Jeremy M. Lloyd J. Chem. Soc. Perkin Trans. 1 1982 2347
3. Organic template-assisted green synthesis of CoMoO4 nanomaterials for the investigation of energy storage properties
Irum Shaheen,Khuram Shahzad Ahmad,Camila Zequine,Ram K. Gupta,Andrew Thomas,Mohammad Azad Malik RSC Adv. 2020 10 8115
4. Analyzing a broader spectrum of endocrine active organic contaminants in sewage sludge with high resolution LC-QTOF-MS suspect screening and QSAR toxicity prediction
Gabrielle P. Black,Tarun Anumol,Thomas?M. Young Environ. Sci.: Processes Impacts 2019 21 1099
5. Phyto-synthesized facile Pd/NiOPdO ternary nanocomposite for electrochemical supercapacitor applications
Irum Shaheen,Khuram Shahzad Ahmad,Camila Zequine,Ram K. Gupta,Andrew G. Thomas,Anjum Qureshi,Mohammad Azad Malik,Javed H. Niazi RSC Adv. 2022 12 35409
6. Development of suspect and non-target screening methods for detection of organic contaminants in highway runoff and fish tissue with high-resolution time-of-flight mass spectrometry
Bowen Du,Jonathan M. Lofton,Katherine T. Peter,Alexander D. Gipe,C. Andrew James,Jenifer K. McIntyre,Nathaniel L. Scholz,Joel E. Baker,Edward P. Kolodziej Environ. Sci.: Processes Impacts 2017 19 1185
7. A complex game of hide and seek: the search for new antifungals
Huy X. Ngo,Sylvie Garneau-Tsodikova,Keith D. Green Med. Chem. Commun. 2016 7 1285
8. Facile ZnO-based nanomaterial and its fabrication as a supercapacitor electrode: synthesis, characterization and electrochemical studies
Irum Shaheen,Khuram Shahzad Ahmad,Camila Zequine,Ram K. Gupta,Andrew G. Thomas,Mohammad Azad Malik RSC Adv. 2021 11 23374
9. A comprehensive and high-throughput screening method for multiple prohibited substances by UPLC-QE Plus-HRMS and HPLC-QQQ-MS in human urine for doping control
Yunxi Liu,Tianyu Dong,Kuan Yan,Zhanliang Wang,Genye He,Yufeng Zhang,Congcong Ma,Lu Liu,Wei Chang,Lisi Zhang Anal. Methods 2023 15 3206
10. Determination of stereochemical configuration of asymmetric 1-methylalkylamines, via the stereospecific action of leucine aminopeptidase on diastereoisomeric L-leucyl-(±)-1-methylalkylamides
B. Halpern,J. Ricks,J. W. Westley Chem. Commun. (London) 1966 679

目录

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问答

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