| CAS Number | 1065334-12-4 |
| Catalog Number | AG00J2KO(AGN-PC-0WONMN) |
| Chemical Name | methyl 2-ethylprolinate hydrochloride |
| IUPAC Name | methyl 2-ethylpyrrolidine-2-carboxylate;hydrochloride |
| InChI | InChI=1S/C8H15NO2.ClH/c1-3-8(7(10)11-2)5-4-6-9-8;/h9H,3-6H2,1-2H3;1H |
| InChI Key | REODVNLVQIGMQY-UHFFFAOYSA-N |
| MDL Number | MFCD14582610 |
| Molecular Formula | C8H16ClNO2 |
| Molecular Weight | 193.6711 |
| SMILES | C(OC)(=O)C1(CCCN1)CC.Cl |
| Synonyms | 1065334-12-4,
Methyl 2-ethylprolinate hydrochloride,
Methyl 2-ethylpyrrolidine-2-carboxylate hydrochloride,
MFCD14582610,
Methyl 2-ethyl-2-pyrrolidinecarboxylate hydrochloride,
methyl 2-ethylpyrrolidine-2-carboxylate,hydrochloride,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.671g/mol |
| Monoisotopic Mass | 193.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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