| CAS Number | 92086-93-6 |
| Catalog Number | AG00GVZ6(AGN-PC-0ON3AC) |
| Chemical Name | 1-Benzylpyrrolidine-2-carboxylic acid hydrochloride |
| IUPAC Name | 1-benzylpyrrolidine-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C12H15NO2.ClH/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2,(H,14,15);1H |
| InChI Key | ZNWHWMURQWRKED-UHFFFAOYSA-N |
| MDL Number | MFCD00157011 |
| Molecular Formula | C12H16ClNO2 |
| Molecular Weight | 241.7139 |
| SMILES | OC(=O)[C@@H]1CCCN1Cc1ccccc1.Cl |
| Synonyms | 1-benzylpyrrolidine-2-carboxylic acid hydrochloride,
92086-93-6,
1-benzyl-pyrrolidine-2-carboxylic acid hydrochloride,
AC1Q3EZ1,
1-benzylproline hydrochloride,
SCHEMBL992441,
CTK7I9757,
AKOS000283587,
AKOS022171380,
MCULE-1283664012,
NE26757,
FT-0663030,
EN300-51299,
I14-16698,
Z744592938,
N-Benzyl-(S)-proline Hydrochloride,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number