| CAS Number | 1330764-24-3 |
| Catalog Number | AG00HSRJ(AGN-PC-0WG3RI) |
| Chemical Name | 5-Aminomethyl-3H-Imidazole-4-Carboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 5-(aminomethyl)-1H-imidazole-4-carboxylate |
| InChI | InChI=1S/C7H11N3O2/c1-2-12-7(11)6-5(3-8)9-4-10-6/h4H,2-3,8H2,1H3,(H,9,10) |
| InChI Key | TWRZLDQFXPGVSE-UHFFFAOYSA-N |
| MDL Number | MFCD20230573 |
| Molecular Formula | C7H11N3O2 |
| Molecular Weight | 169.1811 |
| SMILES | O=C(C1=C(CN)N=CN1)OCC |
| Synonyms | 1330764-24-3,
5-Aminomethyl-3H-imidazole-4-carboxylic acid ethyl ester,
Ethyl 4-(aminomethyl)-1H-imidazole-5-carboxylate,
MFCD20230573,
ZINC91305671,
AM806252,
AS-39760,
ethyl 5-(aminomethyl)-1H-imidazole-4-carboxylate,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.184g/mol |
| Monoisotopic Mass | 169.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number