| CAS Number | 1607247-41-5 |
| Catalog Number | AG01AFWB(AGN-PC-0WO6JO) |
| Chemical Name | methyl 2-amino-3-(1H-imidazol-1-yl)propanoate dihydrochloride |
| IUPAC Name | methyl 2-amino-3-imidazol-1-ylpropanoate;dihydrochloride |
| InChI | InChI=1S/C7H11N3O2.2ClH/c1-12-7(11)6(8)4-10-3-2-9-5-10;;/h2-3,5-6H,4,8H2,1H3;2*1H |
| InChI Key | LSMCHVKPQFDGSY-UHFFFAOYSA-N |
| MDL Number | MFCD27920251 |
| Molecular Formula | C7H13Cl2N3O2 |
| Molecular Weight | 242.1030 |
| SMILES | Cl.Cl.COC(C(CN1C=NC=C1)N)=O |
| Synonyms | methyl 2-amino-3-(1H-imidazol-1-yl)propanoate dihydrochloride,
1607247-41-5,
AKOS026728228,
MCULE-8491062344,
NE45094,
Z1742055080,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.1g/mol |
| Monoisotopic Mass | 241.038g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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