Cas no 84807-66-9 (Homocaldopentamine)
Homocaldopentamine structure
Product Name:Homocaldopentamine
CAS No:84807-66-9
MF:C13H33N5
MW:259.434622526169
CID:989668
PubChem ID:196565
Update Time:2024-03-01
Homocaldopentamine Chemical and Physical Properties
Names and Identifiers
-
- homocaldopentamine
- N'-[3-[3-(3-aminopropylamino)propylamino]propyl]butane-1,4-diamine
- N-[3-[3-(3-aminopropylamino)propylamino]propyl]butane-1,4-diamine
- 1,4-Butanediamine, N-(3-((3-((3-aminopropyl)amino)propyl)amino)propyl)-
- 1,6-Diamino-4,8,12-triazahexadecane
- 1,16-diamino-4,8,12-triazahexadecane
- DTXSID10233867
- SCHEMBL3169101
- 84807-66-9
- Homocaldopentamine
-
- Inchi： 1S/C13H33N5/c14-6-1-2-8-16-10-4-12-18-13-5-11-17-9-3-7-15/h16-18H,1-15H2
- InChI Key： FPTWYQKWFMIJPT-UHFFFAOYSA-N
- SMILES： N(CCCNCCCN)CCCNCCCCN
Computed Properties
- Exact Mass: 259.27359607g/mol
- Monoisotopic Mass: 259.27359607g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 15
- Complexity: 143
- 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
- Topological Polar Surface Area: 88.1
- XLogP3: -1.2
Homocaldopentamine Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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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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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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