| CAS Number | 1807940-40-4 |
| Catalog Number | AG0022CC(AGN-PC-0WR4DG) |
| Chemical Name | Trans-4-(4-Chlorophenyl)pyrrolidine-3-carboxylic acid-HCl |
| IUPAC Name | 4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C11H12ClNO2.ClH/c12-8-3-1-7(2-4-8)9-5-13-6-10(9)11(14)15;/h1-4,9-10,13H,5-6H2,(H,14,15);1H |
| InChI Key | OIMCKZOWSJOMID-UHFFFAOYSA-N |
| MDL Number | MFCD06659263 |
| Molecular Formula | C11H13Cl2NO2 |
| Molecular Weight | 262.1324 |
| SMILES | Cl.OC([C@H]1[C@H](C2=CC=C(Cl)C=C2)CNC1)=O |
| Synonyms | trans-4-(4-Chlorophenyl)pyrrolidine-3-carboxylic acid hydrochloride,
4-(4-Chlorophenyl)pyrrolidine-3-carboxylic acid hydrochloride,
1955561-72-4,
1047651-82-0,
1807940-40-4,
AKOS032947616,
4CH-019118,
H-trans-DL-b-Pro-4-(4-chlorophenyl)-OHHCl,
EN300-218030,
(3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid hydrochloride,
1049727-79-8,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.13g/mol |
| Monoisotopic Mass | 261.032g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number