| CAS Number | 1408076-25-4 |
| Catalog Number | AG001CUG(AGN-PC-0WCKEK) |
| Chemical Name | 2-Pyrimidinecarboxylic acid, 5-amino-, methyl ester, hydrochloride (1:1) |
| IUPAC Name | methyl 5-aminopyrimidine-2-carboxylate;hydrochloride |
| InChI | InChI=1S/C6H7N3O2.ClH/c1-11-6(10)5-8-2-4(7)3-9-5;/h2-3H,7H2,1H3;1H |
| InChI Key | BBHSEGKGENTPFB-UHFFFAOYSA-N |
| MDL Number | MFCD23106127 |
| Molecular Formula | C6H8ClN3O2 |
| Molecular Weight | 189.5996 |
| SMILES | Cl.COC(C1=NC=C(N)C=N1)=O |
| Synonyms | Methyl 5-aminopyrimidine-2-carboxylate hydrochloride,
1408076-25-4,
Methyl 5-aminopyrimidine-2-carboxylate HCl,
MFCD23106127,
PB37109,
SB10297,
KS-0000037I,
AS-51825,
ST1141086,
CS-0049005,
Q-3399,
2-Pyrimidinecarboxylic acid, 5-amino-, methyl ester, hydrochloride (1:1),
hydrochloride,
Methyl 5-aminopyrimidine-2-carboxylate,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.599g/mol |
| Monoisotopic Mass | 189.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number