Cas no 54768-73-9 ( )
structure
Product Name:
CAS No:54768-73-9
MF:C7H11ClN4
MW:186.64203953743
CID:942788
PubChem ID:235447
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- SR-01000645691
- 6-Chloro-N~4~-propylpyrimidine-2,4(1H,3H)-diimine
- NSC36832
- 6-chloro-4-N-propylpyrimidine-2,4-diamine
- 6-chloro-n4-propylpyrimidine-2,4-diamine
- SCHEMBL8597545
- NSC-36832
- 54768-73-9
- SR-01000645691-1
- CJLHKXMIVVKVIW-UHFFFAOYSA-N
- AKOS024337987
- DTXSID60970098
-
-
- Inchi： 1S/C7H11ClN4/c1-2-3-10-6-4-5(8)11-7(9)12-6/h4H,2-3H2,1H3,(H3,9,10,11,12)
- InChI Key： CJLHKXMIVVKVIW-UHFFFAOYSA-N
- SMILES： ClC1=CC(=NC(N)=N1)NCCC
Computed Properties
- Exact Mass: 186.06743
- Monoisotopic Mass: 186.067224
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 133
- 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: 63.8
- XLogP3: 2
Experimental Properties
- Density: 1.309
- Boiling Point: 407.4°C at 760 mmHg
- Flash Point: 200.2°C
- Refractive Index: 1.625
- PSA: 63.83
Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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