| CAS Number | 1807937-84-3 |
| Catalog Number | AG01DZ07 |
| Chemical Name | rac-(3R,4S)-4-phenylpyrrolidine-3-carbonitrile hydrochloride, trans |
| IUPAC Name | 4-phenylpyrrolidine-3-carbonitrile;hydrochloride |
| InChI | InChI=1S/C11H12N2.ClH/c12-6-10-7-13-8-11(10)9-4-2-1-3-5-9;/h1-5,10-11,13H,7-8H2;1H |
| InChI Key | HARUKINIUAWYFK-UHFFFAOYSA-N |
| MDL Number | MFCD28954407 |
| Molecular Formula | C11H13ClN2 |
| Molecular Weight | 208.6873 |
| SMILES | Cl.C1(=CC=CC=C1)[C@@H]1[C@H](CNC1)C#N |
| Synonyms | 4-Phenylpyrrolidine-3-carbonitrile hydrochloride,
1955499-16-7,
EN300-221055,
Rac-(3R,4S)-4-phenylpyrrolidine-3-carbonitrile hydrochloride,
1807937-84-3,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.689g/mol |
| Monoisotopic Mass | 208.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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