| CAS Number | 936225-49-9 |
| Catalog Number | AG01FLXO(AGN-PC-3H5M2N) |
| Chemical Name | 3-Benzylpyrrolidine hydrochloride |
| IUPAC Name | 3-benzylpyrrolidine;hydrochloride |
| InChI | InChI=1S/C11H15N.ClH/c1-2-4-10(5-3-1)8-11-6-7-12-9-11;/h1-5,11-12H,6-9H2;1H |
| InChI Key | MOHPRQHABSPJSO-UHFFFAOYSA-N |
| MDL Number | MFCD08460458 |
| Molecular Formula | C11H16ClN |
| Molecular Weight | 197.7044 |
| SMILES | [H]Cl.C1(CC2=CC=CC=C2)CNCC1 |
| Synonyms | 3-benzylpyrrolidine hydrochloride,
936225-49-9,
(R)-3-Benzylpyrrolidine hydrochloride,
(S)-3-Benzylpyrrolidine hydrochloride,
3-Benzylpyrrolidine HCl,
3-BENZYL-PYRROLIDINE HCL,
1956436-43-3,
1956436-53-5,
AKOS026681334,
DB-031581,
FT-0710851,
F2147-1778,
3-(phenylmethyl)Pyrrolidine hydrochloride,
170304-83-3,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number