| CAS Number | 114725-00-7 |
| Catalog Number | AG000F4C(AGN-PC-000IB5) |
| Chemical Name | Methyl 1,3-Dimethylpyrrolidine-3-Carboxylate |
| IUPAC Name | methyl 1,3-dimethylpyrrolidine-3-carboxylate |
| InChI | InChI=1S/C8H15NO2/c1-8(7(10)11-3)4-5-9(2)6-8/h4-6H2,1-3H3 |
| InChI Key | AJHMLHHIBYJZNW-UHFFFAOYSA-N |
| MDL Number | MFCD26127438 |
| Molecular Formula | C8H15NO2 |
| Molecular Weight | 157.2102 |
| SMILES | O=C(C1(C)CN(C)CC1)OC |
| Synonyms | Methyl 1,3-dimethylpyrrolidine-3-carboxylate,
114725-00-7,
1,3-DIMETHYL-3-PYRROLIDINECARBOXYLIC ACID METHYL ESTER,
3-Pyrrolidinecarboxylic acid, 1,3-dimethyl-, methyl ester,
SCHEMBL5524930,
DTXSID10556780,
MFCD26127438,
FCH2422307,
AS-41101,
AX8282197,
FT-0757588,
methyl 1,3-dimethylpyrrolidine-3-carboxylate, 95% - 1G 1g,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.213g/mol |
| Monoisotopic Mass | 157.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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