| CAS Number | 2044713-83-7 |
| Catalog Number | AG01BXVW |
| Chemical Name | 2-(Aminomethyl)pyrimidine-5-carboxylic Acid Hydrochloride |
| IUPAC Name | 2-(aminomethyl)pyrimidine-5-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C6H7N3O2.ClH/c7-1-5-8-2-4(3-9-5)6(10)11;/h2-3H,1,7H2,(H,10,11);1H |
| InChI Key | ZOBMJZVGGADAJD-UHFFFAOYSA-N |
| MDL Number | MFCD30488056 |
| Molecular Formula | C6H8ClN3O2 |
| Molecular Weight | 189.5996 |
| SMILES | Cl.NCC1=NC=C(C(O)=O)C=N1 |
| Synonyms | 2-(aminomethyl)pyrimidine-5-carboxylic acid hydrochloride,
2044713-83-7,
Z2692093545,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.599g/mol |
| Monoisotopic Mass | 189.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 89.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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