| CAS Number | 1170381-63-1 |
| Catalog Number | AG008RY4(AGN-PC-0WBOEM) |
| Chemical Name | 3-(2-Methoxybenzyl)pyrrolidine oxalate |
| IUPAC Name | 3-[(2-methoxyphenyl)methyl]pyrrolidine;oxalic acid |
| InChI | InChI=1S/C12H17NO.C2H2O4/c1-14-12-5-3-2-4-11(12)8-10-6-7-13-9-10;3-1(4)2(5)6/h2-5,10,13H,6-9H2,1H3;(H,3,4)(H,5,6) |
| InChI Key | BBLGEGFMMFGIGW-UHFFFAOYSA-N |
| MDL Number | MFCD04117742 |
| Molecular Formula | C14H19NO5 |
| Molecular Weight | 281.3044 |
| SMILES | OC(=O)C(O)=O.COC1=CC=CC=C1CC1CCNC1 |
| Synonyms | 3-(2-Methoxybenzyl)pyrrolidine oxalate,
1170381-63-1,
SCHEMBL5245645,
CTK7I3887,
3ABX-S01-4,
ZX-AT029495,
5141AH,
AR1433,
MFCD04117742,
AS-45121,
X-3260,
3-[(2-methoxyphenyl)methyl]pyrrolidine; oxalic acid,
C12H17NO.C2H2O4,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.308g/mol |
| Monoisotopic Mass | 281.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number