| CAS Number | 1139245-35-4 |
| Catalog Number | AG00HCR8(AGN-PC-0WG47I) |
| Chemical Name | 4-Chloro-n-methyl-6-(propan-2-yl)-1,3,5-triazin-2-amine |
| IUPAC Name | 4-chloro-N-methyl-6-propan-2-yl-1,3,5-triazin-2-amine |
| InChI | InChI=1S/C7H11ClN4/c1-4(2)5-10-6(8)12-7(9-3)11-5/h4H,1-3H3,(H,9,10,11,12) |
| InChI Key | WAGKTQIVZSZJAK-UHFFFAOYSA-N |
| MDL Number | MFCD20682918 |
| Molecular Formula | C7H11ClN4 |
| Molecular Weight | 186.6420 |
| SMILES | CN=c1nc(Cl)nc([nH]1)C(C)C |
| Synonyms | 1139245-35-4,
4-CHLORO-N-METHYL-6-(PROPAN-2-YL)-1,3,5-TRIAZIN-2-AMINE,
4-Chloro-6-isopropyl-N-methyl-1,3,5-triazin-2-amine,
1,3,5-Triazin-2-amine, 4-chloro-N-methyl-6-(1-methylethyl)-,
MFCD20682918,
ZINC238350133,
FCH1264679,
TZ000623,
CS-0035596,
4-Chloro-N-methyl-6-propan-2-yl-1,3,5-triazin-2-amine,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.643g/mol |
| Monoisotopic Mass | 186.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number