| CAS Number | 87813-03-4 |
| Catalog Number | AG00IES1(AGN-PC-0VGX9Y) |
| Chemical Name | Methyl DL-1-benzyl-4-phenylpyrrolidine-3-carboxylate |
| IUPAC Name | methyl 1-benzyl-4-phenylpyrrolidine-3-carboxylate |
| InChI | InChI=1S/C19H21NO2/c1-22-19(21)18-14-20(12-15-8-4-2-5-9-15)13-17(18)16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3 |
| InChI Key | CBOILEULVFQPKE-UHFFFAOYSA-N |
| MDL Number | MFCD11227120 |
| Molecular Formula | C19H21NO2 |
| Molecular Weight | 295.3755 |
| SMILES | COC([C@H]1[C@H](C2=CC=CC=C2)CN(CC2=CC=CC=C2)C1)=O |
| Synonyms | METHYL 1-BENZYL-4-PHENYLPYRROLIDINE-3-CARBOXYLATE,
438492-33-2,
87813-03-4,
Methyl DL-1-benzyl-4-phenylpyrrolidine-3-carboxylate,
methyl1-benzyl-4-phenylpyrrolidine-3-carboxylate,
Methyl 1-benzyl-4-phenyl-pyrrolidine-3-carboxylate,
SCHEMBL4661703,
CTK8D4037,
DTXSID30465567,
CBOILEULVFQPKE-UHFFFAOYSA-N,
AKOS015851381,
CM-1848,
AN-28355,
TC-061400,
V8558,
F1911-4035,
4-Phenyl-1-benzylpyrrolidine-3-carboxylic acid methyl ester,
1-Phenylmethyl-3-(SR)-carbomethoxy-4-(SR)-phenylpyrrolidine,
C19H21NO2,
CID11426434,
A7011,
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| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.382g/mol |
| Monoisotopic Mass | 295.157g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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