Cas no 89792-79-0 ( )
structure
Product Name:
CAS No:89792-79-0
MF:C7H8Cl2N4O
MW:235.070618629456
CID:993853
PubChem ID:347667
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
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- DTXSID90324343
- NSC406458
- 89792-79-0
- NSC-406458
- N-(4-amino-2,6-dichloropyrimidin-5-yl)-N-ethylformamide
-
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- Inchi： 1S/C7H8Cl2N4O/c1-2-13(3-14)4-5(8)11-7(9)12-6(4)10/h3H,2H2,1H3,(H2,10,11,12)
- InChI Key： HFPMWXFHTALMQB-UHFFFAOYSA-N
- SMILES： ClC1=C(C(N)=NC(=N1)Cl)N(C=O)CC
Computed Properties
- Exact Mass: 234.008
- Monoisotopic Mass: 234.008
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 206
- 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: 1.5
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- Density: 1.527
- Boiling Point: 426.1°C at 760 mmHg
- Flash Point: 211.5°C
- Refractive Index: 1.642
Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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