| CAS Number | 885958-63-4 |
| Catalog Number | AG00H361(AGN-PC-0WOJVG) |
| Chemical Name | 1-Benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C14H19NO2/c1-14(2)10-15(9-12(14)13(16)17)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,16,17) |
| InChI Key | YLHKSZFLQXTQKA-UHFFFAOYSA-N |
| MDL Number | MFCD07367084 |
| Molecular Formula | C14H19NO2 |
| Molecular Weight | 233.3062 |
| SMILES | CC1(C)CN(CC2=CC=CC=C2)CC1C(O)=O |
| Synonyms | 1-benzyl-4,4-dimethyl-pyrrolidine-3-carboxylic Acid,
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid,
885958-63-4,
848445-43-2,
AC1NO39Q,
CTK7J0433,
AKOS013253171,
ACN-047784,
AS-47196,
CS-0060059,
CID5081554,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.311g/mol |
| Monoisotopic Mass | 233.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
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