| CAS Number | 62968-41-6 |
| Catalog Number | AG01DWJX(AGN-PC-0NJV9V) |
| Chemical Name | 2-Chloro-4-(diethylamino)pyrimidine |
| IUPAC Name | 2-chloro-N,N-diethylpyrimidin-4-amine |
| InChI | InChI=1S/C8H12ClN3/c1-3-12(4-2)7-5-6-10-8(9)11-7/h5-6H,3-4H2,1-2H3 |
| InChI Key | IJBXLOODPFVVJL-UHFFFAOYSA-N |
| MDL Number | MFCD15202094 |
| Molecular Formula | C8H12ClN3 |
| Molecular Weight | 185.6540 |
| SMILES | CCN(C1=NC(Cl)=NC=C1)CC |
| Synonyms | 2-chloro-4-(diethylamino)pyrimidine,
2-chloro-N,N-diethylpyrimidin-4-amine,
62968-41-6,
SCHEMBL5888013,
IJBXLOODPFVVJL-UHFFFAOYSA-N,
ZINC39267863,
AKOS011627262,
4-Pyrimidinamine, 2-chloro-N,N-diethyl-,
N-(2-chloro-4-pyrimidinyl)-N,N-diethylamine,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.655g/mol |
| Monoisotopic Mass | 185.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number