| CAS Number | 2044714-04-5 |
| Catalog Number | AG01BV80 |
| Chemical Name | 1-(2-aminoethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile hydrochloride |
| IUPAC Name | 1-(2-aminoethyl)-2,4-dioxopyrimidine-5-carbonitrile;hydrochloride |
| InChI | InChI=1S/C7H8N4O2.ClH/c8-1-2-11-4-5(3-9)6(12)10-7(11)13;/h4H,1-2,8H2,(H,10,12,13);1H |
| InChI Key | YDORSZSWGZLRFT-UHFFFAOYSA-N |
| MDL Number | MFCD30005607 |
| Molecular Formula | C7H9ClN4O2 |
| Molecular Weight | 216.6250 |
| SMILES | Cl.NCCN1C(=O)NC(=O)C(C#N)=C1 |
| Synonyms | 1-(2-aminoethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile hydrochloride,
2044714-04-5,
AKOS026748378,
F2185-1981,
Z2678251403,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.041403g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.62g/mol |
| Monoisotopic Mass | 216.041403g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 99.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number