| CAS Number | 1909347-71-2 |
| Catalog Number | AG01B2FF |
| Chemical Name | 1,4,5,6-tetrahydropyrimidine-4-carboxylic acid hydrochloride |
| IUPAC Name | 1,4,5,6-tetrahydropyrimidine-6-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C5H8N2O2.ClH/c8-5(9)4-1-2-6-3-7-4;/h3-4H,1-2H2,(H,6,7)(H,8,9);1H |
| InChI Key | SGDKBBMCBFHNLV-UHFFFAOYSA-N |
| MDL Number | MFCD29907407 |
| Molecular Formula | C5H9ClN2O2 |
| Molecular Weight | 164.5902 |
| SMILES | Cl.OC(C1N=CNCC1)=O |
| Synonyms | 1,4,5,6-tetrahydropyrimidine-4-carboxylic acid hydrochloride,
1909347-71-2,
Z2489418691,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.589g/mol |
| Monoisotopic Mass | 164.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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