Cas no 6323-74-6 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- N-butyl-N-but-2-ynylbutan-1-amine
- 1-Dibutylamino-but-2-in
- AC1MXAUB
- But-2-inyl-dibutyl-amin
- but-2-ynyl-dibutyl-amine
- N,N-dibutylbut-2-yn-1-amine
- NSC34146
- DTXSID40396772
- NSC-34146
- 6323-74-6
-
-
- Inchi： 1S/C12H23N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-5,7-8,10-12H2,1-3H3
- InChI Key： SPZZBOQPUUVTLV-UHFFFAOYSA-N
- SMILES： N(CC#CC)(CCCC)CCCC
Computed Properties
- Exact Mass: 181.183049738g/mol
- Monoisotopic Mass: 181.183049738g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 153
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 3.2?2
Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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