Cas no 125454-28-6 (Hexanoic acid,6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-)
![Hexanoic acid,6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]- structure](https://ossimg.kuujia.com/scimg/125500/125454-28-6x500.png)
125454-28-6 structure
Product Name:Hexanoic acid,6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-
CAS No:125454-28-6
MF:C11H18ClN5O2
MW:287.745920658112
CID:230560
PubChem ID:180327
Update Time:2025-04-19
Hexanoic acid,6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]- Chemical and Physical Properties
Names and Identifiers
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- Hexanoic acid,6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-
- 6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexanoic acid
- Hexanoic acid, 6-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-
- DTXSID00154779
- 125454-28-6
-
- Inchi： 1S/C11H18ClN5O2/c1-2-13-10-15-9(12)16-11(17-10)14-7-5-3-4-6-8(18)19/h2-7H2,1H3,(H,18,19)(H2,13,14,15,16,17)
- InChI Key： XRECKOWRFWOJSF-UHFFFAOYSA-N
- SMILES： ClC1N=C(NCC)N=C(N=1)NCCCCCC(=O)O
Computed Properties
- Exact Mass: 287.11514
- Monoisotopic Mass: 287.1149025g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 270
- 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: 2.5
- Topological Polar Surface Area: 100?2
Experimental Properties
- PSA: 100.03
Hexanoic acid,6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]- Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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