| CAS Number | 144889-08-7 |
| Catalog Number | AG00HX8P(AGN-PC-0O2ZAK) |
| Chemical Name | Pyrrolidine, 2-(phenylmethyl)-, hydrochloride, (R)- |
| IUPAC Name | (2S)-2-benzylpyrrolidine;hydrochloride |
| InChI | InChI=1S/C11H15N.ClH/c1-2-5-10(6-3-1)9-11-7-4-8-12-11;/h1-3,5-6,11-12H,4,7-9H2;1H/t11-;/m0./s1 |
| InChI Key | PSNHTTMLFMMVMP-MERQFXBCSA-N |
| MDL Number | MFCD26406800 |
| Molecular Formula | C11H16ClN |
| Molecular Weight | 197.7044 |
| SMILES | [H]Cl.[C@@H]1(CC2=CC=CC=C2)NCCC1 |
| Synonyms | (S)-2-BENZYLPYRROLIDINE HCL,
144889-08-7,
(2S)-2-Benzylpyrrolidine HCl,
DTXSID30857362,
MFCD26406800,
AS-42183,
(2S)-2-Benzylpyrrolidine--hydrogen chloride (1/1),
Pyrrolidine, 2-(phenylmethyl)-, hydrochloride, (R)-,
(S)-2-Benzylpyrrolidine hydrochloride,
97522-31-1,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.706g/mol |
| Monoisotopic Mass | 197.097g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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