| CAS Number | 2094379-52-7 |
| Catalog Number | AG01E837 |
| Chemical Name | 1-(2-aminoethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid hydrochloride |
| IUPAC Name | 1-(2-aminoethyl)-2,4-dioxopyrimidine-5-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C7H9N3O4.ClH/c8-1-2-10-3-4(6(12)13)5(11)9-7(10)14;/h3H,1-2,8H2,(H,12,13)(H,9,11,14);1H |
| InChI Key | XKSUAICOBCHUNL-UHFFFAOYSA-N |
| MDL Number | MFCD30734186 |
| Molecular Formula | C7H10ClN3O4 |
| Molecular Weight | 235.625 |
| SMILES | Cl.NCCN1C(=O)NC(=O)C(C(O)=O)=C1 |
| Synonyms | 1-(2-aminoethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid hydrochloride,
Z2805877118,
2094379-52-7,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.624g/mol |
| Monoisotopic Mass | 235.036g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number