Cas no 61591-87-5 (1,4-Butanediamine, N,N'-bis(3-aminopropyl)-2-fluoro-)
61591-87-5 structure
Product Name:1,4-Butanediamine, N,N'-bis(3-aminopropyl)-2-fluoro-
CAS No:61591-87-5
MF:C10H25FN4
MW:220.330705404282
CID:473649
PubChem ID:21481958
Update Time:2025-04-19
1,4-Butanediamine, N,N'-bis(3-aminopropyl)-2-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-2-fluoro-
- N,N'-bis(3-aminopropyl)-2-fluorobutane-1,4-diamine
- N~1~,N~4~-Bis(3-aminopropyl)-2-fluorobutane-1,4-diamine
- 61591-87-5
- DTXSID70614496
-
- Inchi： 1S/C10H25FN4/c11-10(9-15-7-2-5-13)3-8-14-6-1-4-12/h10,14-15H,1-9,12-13H2
- InChI Key： YABYJWSOPOMYNF-UHFFFAOYSA-N
- SMILES： FC(CNCCCN)CCNCCCN
Computed Properties
- Exact Mass: 220.20655
- Monoisotopic Mass: 220.20632498g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 11
- Complexity: 124
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1
- Topological Polar Surface Area: 76.1?2
Experimental Properties
- PSA: 76.1
1,4-Butanediamine, N,N'-bis(3-aminopropyl)-2-fluoro- Related Literature
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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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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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