| CAS Number | 959239-77-1 |
| Catalog Number | AG00H698(AGN-PC-0WB3WF) |
| Chemical Name | 4-Chloro-2-methyl-5-propylpyrimidine |
| IUPAC Name | 4-chloro-2-methyl-5-propylpyrimidine |
| InChI | InChI=1S/C8H11ClN2/c1-3-4-7-5-10-6(2)11-8(7)9/h5H,3-4H2,1-2H3 |
| InChI Key | CDBCAEDPKQHTSE-UHFFFAOYSA-N |
| MDL Number | MFCD09864481 |
| Molecular Formula | C8H11ClN2 |
| Molecular Weight | 170.6393 |
| SMILES | N1=C(C)N=CC(CCC)=C1Cl |
| Synonyms | 4-Chloro-2-methyl-5-propylpyrimidine,
959239-77-1,
CTK5H8389,
DTXSID20650945,
ZX-CM005712,
FCH836394,
MFCD09864481,
ZINC19091761,
AKOS006282550,
4-Chloro-2-methyl-5-propyl-pyrimidine,
AJ-71684,
DA-18869,
FT-0756664,
EC-000.2065,
Y-5826,
4-Chloro-2-methyl-5-propylpyrimidine, AldrichCPR,
4026640-25G,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.64g/mol |
| Monoisotopic Mass | 170.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H302
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number