| CAS Number | 2044713-47-3 |
| Catalog Number | AG01BV9J |
| Chemical Name | 1-(1-methyl-1H-imidazol-2-yl)pyrrolidine-3-carboxylic acid hydrochloride |
| IUPAC Name | 1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H13N3O2.ClH/c1-11-5-3-10-9(11)12-4-2-7(6-12)8(13)14;/h3,5,7H,2,4,6H2,1H3,(H,13,14);1H |
| InChI Key | JZZGCUFXRPZBER-UHFFFAOYSA-N |
| MDL Number | MFCD30476308 |
| Molecular Formula | C9H14ClN3O2 |
| Molecular Weight | 231.6794 |
| SMILES | Cl.CN1C(N2CC(C(O)=O)CC2)=NC=C1 |
| Synonyms | 1-(1-methyl-1H-imidazol-2-yl)pyrrolidine-3-carboxylic acid hydrochloride,
2044713-47-3,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.68g/mol |
| Monoisotopic Mass | 231.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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