| CAS Number | 1353971-26-2 |
| Catalog Number | AG009HWM(AGN-PC-0WNSVZ) |
| Chemical Name | 3-Methylamino-pyrrolidine-1-carboxylic acid benzyl ester |
| IUPAC Name | benzyl 3-(methylamino)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C13H18N2O2/c1-14-12-7-8-15(9-12)13(16)17-10-11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3 |
| InChI Key | XGJOYHWLQXYOPI-UHFFFAOYSA-N |
| MDL Number | MFCD08061938 |
| Molecular Formula | C13H18N2O2 |
| Molecular Weight | 234.2942 |
| SMILES | CNC1CCN(C1)C(=O)OCc1ccccc1 |
| Synonyms | 3-Methylamino-pyrrolidine-1-carboxylic acid benzyl ester,
917357-83-6,
benzyl 3-(methylamino)pyrrolidine-1-carboxylate,
1353971-26-2,
(R)-Benzyl 3-(methylamino)pyrrolidine-1-carboxylate,
3-(Methylamino)-1-pyrrolidinecarboxylic acid benzyl ester,
PubChem11372,
CTK8C6583,
DTXSID80634983,
1-N-Cbz-3-methylaminopyrrolidine,
AKOS015850974,
AM93709,
DB-079164,
TC-063259,
FT-0603823,
Z3092,
C13H18N2O2,
(S)-3-Methylamino-pyrrolidine-1-carboxylic acid benzyl ester,
917459-77-9,
1292324-49-2,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.299g/mol |
| Monoisotopic Mass | 234.137g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number