| CAS Number | 1111640-59-5 |
| Catalog Number | AG00HC47(AGN-PC-0WD8TK) |
| Chemical Name | Methyl3-methylpyrrolidine-3-carboxylatehydrochloride |
| IUPAC Name | methyl 3-methylpyrrolidine-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C7H13NO2.ClH/c1-7(6(9)10-2)3-4-8-5-7;/h8H,3-5H2,1-2H3;1H |
| InChI Key | XBFQRNMGHIGQRP-UHFFFAOYSA-N |
| MDL Number | MFCD12408542 |
| Molecular Formula | C7H14ClNO2 |
| Molecular Weight | 179.6446 |
| SMILES | COC(=O)C1(C)CCNC1.Cl |
| Synonyms | 1111640-59-5,
methyl 3-methylpyrrolidine-3-carboxylate hydrochloride,
Methyl 3-methylpyrrolidine-3-carboxylate HCl,
methyl3-methylpyrrolidine-3-carboxylatehydrochloride,
methyl 3-methyl-3-pyrrolidinecarboxylate hydrochloride,
SCHEMBL3002144,
XBFQRNMGHIGQRP-UHFFFAOYSA-N,
MFCD12408542,
AKOS027253561,
KS-000004G5,
AS-50923,
CS-0049070,
Methyl 3-methyl-3-pyrrolidinecarboxylate HCl salt,
methyl 3-methylpyrrolidine-3-carboxylate;hydrochloride,
(+/-) 3-methyl-pyrrolidine-3-carboxylic acid methyl ester hydrochloride,
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| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.644g/mol |
| Monoisotopic Mass | 179.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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