| CAS Number | 923131-57-1 |
| Catalog Number | AG019P8C |
| Chemical Name | N-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-chloro-N-ethylacetamide |
| IUPAC Name | N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-ethylacetamide |
| InChI | InChI=1S/C12H19ClN4O3/c1-3-5-6-17-10(14)9(11(19)15-12(17)20)16(4-2)8(18)7-13/h3-7,14H2,1-2H3,(H,15,19,20) |
| InChI Key | PALCSBHSDBHSOQ-UHFFFAOYSA-N |
| MDL Number | MFCD08444103 |
| Molecular Formula | C12H19ClN4O3 |
| Molecular Weight | 302.7573 |
| SMILES | CCCCN1C(=O)NC(=O)C(N(C(CCl)=O)CC)=C1N |
| Synonyms | N-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-chloro-N-ethylacetamide,
923131-57-1,
AC1Q2WW4,
CTK6E2310,
ZINC8324079,
AKOS001286947,
MCULE-7250368805,
NE30845,
UPCMLD0ENAT5614307:001,
EN300-22629,
ZINC08324079,
CID9449831,
|
| Complexity | 450 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.759g/mol |
| Monoisotopic Mass | 302.115g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 95.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number