| CAS Number | 1023817-05-1 |
| Catalog Number | AG01DUXA |
| Chemical Name | 2-(Trifluoromethyl)pyrimidine-4,5-diamine |
| IUPAC Name | 2-(trifluoromethyl)pyrimidine-4,5-diamine |
| InChI | InChI=1S/C5H5F3N4/c6-5(7,8)4-11-1-2(9)3(10)12-4/h1H,9H2,(H2,10,11,12) |
| InChI Key | JIMAHMXSFTXDGJ-UHFFFAOYSA-N |
| MDL Number | MFCD09881362 |
| Molecular Formula | C5H5F3N4 |
| Molecular Weight | 178.1152 |
| SMILES | NC1=C(N)N=C(C(F)(F)F)N=C1 |
| Synonyms | 2-(TRIFLUOROMETHYL)PYRIMIDINE-4,5-DIAMINE,
1023817-05-1,
SCHEMBL3646248,
ZINC26460882,
AKOS006311743,
AB54519,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.118g/mol |
| Monoisotopic Mass | 178.047g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number