| CAS Number | 1139245-78-5 |
| Catalog Number | AG00HCR9(AGN-PC-0WO0ZQ) |
| Chemical Name | 4-chloro-N,N-dimethyl-6-(propan-2-yl)-1,3,5-triazin-2-amine |
| IUPAC Name | 4-chloro-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine |
| InChI | InChI=1S/C8H13ClN4/c1-5(2)6-10-7(9)12-8(11-6)13(3)4/h5H,1-4H3 |
| InChI Key | ZIQGDJRCQXROET-UHFFFAOYSA-N |
| MDL Number | MFCD18314223 |
| Molecular Formula | C8H13ClN4 |
| Molecular Weight | 200.6686 |
| SMILES | CC(C1=NC(N(C)C)=NC(Cl)=N1)C |
| Synonyms | 4-chloro-N,N-dimethyl-6-(propan-2-yl)-1,3,5-triazin-2-amine,
1139245-78-5,
4-Chloro-6-isopropyl-N,N-dimethyl-1,3,5-triazin-2-amine,
4-chloro-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine,
MFCD21276597,
ZINC84025906,
AKOS014986304,
NE32974,
CS-0035599,
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.67g/mol |
| Monoisotopic Mass | 200.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number