Cas no 125454-26-4 (Butanoic acid,4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-)
![Butanoic acid,4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]- structure](https://ossimg.kuujia.com/scimg/125500/125454-26-4x500.png)
125454-26-4 structure
Product Name:Butanoic acid,4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-
CAS No:125454-26-4
MF:C9H14ClN5O2
MW:259.692759990692
CID:201631
PubChem ID:180325
Update Time:2025-04-19
Butanoic acid,4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-
- 4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]butanoic acid
- Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-
- DTXSID80154777
- 125454-26-4
-
- Inchi： 1S/C9H14ClN5O2/c1-2-11-8-13-7(10)14-9(15-8)12-5-3-4-6(16)17/h2-5H2,1H3,(H,16,17)(H2,11,12,13,14,15)
- InChI Key： QJCNXQQKVJBFEF-UHFFFAOYSA-N
- SMILES： ClC1N=C(N=C(N=1)NCCCC(=O)O)NCC
Computed Properties
- Exact Mass: 259.08382
- Monoisotopic Mass: 259.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 243
- 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: 1.7
- Topological Polar Surface Area: 100?2
Experimental Properties
- Density: 1.437
- Boiling Point: 520.6°Cat760mmHg
- Flash Point: 268.7°C
- Refractive Index: 1.635
- PSA: 100.03
Butanoic acid,4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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