| CAS Number | 1049976-06-8 |
| Catalog Number | AG008YD7(AGN-PC-0WAFFF) |
| Chemical Name | trans-4-(m-Tolyl)pyrrolidine-3-carboxylic acid hydrochloride |
| IUPAC Name | (3R,4S)-4-(3-methylphenyl)pyrrolidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C12H15NO2.ClH/c1-8-3-2-4-9(5-8)10-6-13-7-11(10)12(14)15;/h2-5,10-11,13H,6-7H2,1H3,(H,14,15);1H/t10-,11+;/m1./s1 |
| InChI Key | POLHJHNHHYTABE-DHXVBOOMSA-N |
| MDL Number | MFCD06659270 |
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.2530 |
| SMILES | CC1=CC([C@H]2[C@H](C(O)=O)CNC2)=CC=C1 |
| Synonyms | 1049976-06-8,
trans-4-(m-Tolyl)pyrrolidine-3-carboxylic acid hydrochloride,
Trans-4-m-tolylpyrrolidine-3-carboxylic acid-HCl,
Trans-4-m-tolylpyrrolidine-3-carboxylic acid,
DTXSID70719314,
7806AH,
AKOS015924272,
AK-42075,
AB0000735,
AX8209425,
ST2407773,
B-1876,
( inverted exclamation markA)-trans-4-(3-methyl-phenyl)-pyrrolidine-3-carboxylic acid?HCl,
(3R,4S)-4-(3-Methylphenyl)pyrrolidine-3-carboxylic acid--hydrogen chloride (1/1),
C12H15NO2.HCl,
trans-4-m-Tolylpyrrolidine-3-carboxylic acid hydrochloride,
(+/-)-TRANS-4-(3-METHYL-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE,
N/A,
|
| Complexity | 242 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.715g/mol |
| Monoisotopic Mass | 241.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number