| CAS Number | 201406-78-2 |
| Catalog Number | AG00I3RN(AGN-PC-0WRAAO) |
| Chemical Name | Methyl 1-benzylpyrrolidine-2-carboxylate |
| IUPAC Name | methyl 1-benzylpyrrolidine-2-carboxylate |
| InChI | InChI=1S/C13H17NO2/c1-16-13(15)12-8-5-9-14(12)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3 |
| InChI Key | NGJACAHAGMHHQT-UHFFFAOYSA-N |
| MDL Number | MFCD00183618 |
| Molecular Formula | C13H17NO2 |
| Molecular Weight | 219.2796 |
| SMILES | COC(C1N(CC2=CC=CC=C2)CCC1)=O |
| Synonyms | methyl 1-benzylpyrrolidine-2-carboxylate,
201406-78-2,
methyl (2R)-1-benzylpyrrolidine-2-carboxylate,
methyl 1-benzylprolinate,
AC1LBRD6,
SCHEMBL952722,
DTXSID40340255,
AKOS011302997,
MCULE-2159576692,
NE26507,
AK162907,
EN300-80341,
J3.641.319K,
methyl 1-(phenylmethyl)pyrrolidine-2-carboxylate,
1-Benzylpyrrolidine-2-carboxylic acid methyl ester,
1-benzyl-pyrrolidine-2-carboxylic acid methyl ester,
Z1127663376,
(R)-Methyl 1-benzylpyrrolidine-2-carboxylate,
CID562947,
Methyl 1-benzyl-2-pyrrolidinecarboxylate,
113304-84-0,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.284g/mol |
| Monoisotopic Mass | 219.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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