| CAS Number | 174213-52-6 |
| Catalog Number | AG00BA7R(AGN-PC-0WR2OY) |
| Chemical Name | (S)-2-(Phenoxymethyl)-pyrrolidine hydrochloride |
| IUPAC Name | (2S)-2-(phenoxymethyl)pyrrolidine;hydrochloride |
| InChI | InChI=1S/C11H15NO.ClH/c1-2-6-11(7-3-1)13-9-10-5-4-8-12-10;/h1-3,6-7,10,12H,4-5,8-9H2;1H/t10-;/m0./s1 |
| InChI Key | ZQZPNGMXJUGQPP-PPHPATTJSA-N |
| MDL Number | MFCD11849588 |
| Molecular Formula | C11H16ClNO |
| Molecular Weight | 213.7038 |
| SMILES | Cl.C([C@H]1NCCC1)OC1=CC=CC=C1 |
| Synonyms | (S)-2-(PHENOXYMETHYL)PYRROLIDINE HCL,
174213-52-6,
(S)-2-(phenoxymethyl)pyrrolidine hydrochloride,
SCHEMBL4742124,
MFCD11849588,
AKOS027252438,
AS-42181,
DB-013662,
FT-0772054,
(S)-2-(PHENOXYMETHYL)-PYRROLIDINE HYDROCHLORIDE,
2-(Phenoxymethyl)-pyrrolidine hydrochloride,
Pyrrolidine, 2-(phenoxymethyl)-, hydrochloride,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.705g/mol |
| Monoisotopic Mass | 213.092g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number