| CAS Number | 874367-19-8 |
| Catalog Number | AG00H34G(AGN-PC-0VDMDI) |
| Chemical Name | Methyl trans-4-phenylpyrrolidine-3-carboxylate hydrochloride |
| IUPAC Name | methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C12H15NO2.ClH/c1-15-12(14)11-8-13-7-10(11)9-5-3-2-4-6-9;/h2-6,10-11,13H,7-8H2,1H3;1H/t10-,11+;/m1./s1 |
| InChI Key | LBUJDEHQFGPGOH-DHXVBOOMSA-N |
| MDL Number | MFCD08689633 |
| Molecular Formula | C12H16ClNO2 |
| Molecular Weight | 241.7139 |
| SMILES | Cl.COC([C@H]1[C@H](C2=CC=CC=C2)CNC1)=O |
| Synonyms | 874367-19-8,
trans-Methyl 4-phenylpyrrolidine-3-carboxylate hydrochloride,
methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate hydrochloride,
Methyl (+/-)-trans-4-phenylpyrrolidine-3-carboxylate hydrochloride,
Rac-methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate hydrochloride,
1820569-37-6,
MFCD27578427,
AKOS027393774,
NE63051,
CS-15599,
trans-Methyl 4-phenylpyrrolidine-3-carboxylate HCl,
2059917-87-0,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.715g/mol |
| Monoisotopic Mass | 241.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number