| CAS Number | 1185299-28-8 |
| Catalog Number | AG009A4I(AGN-PC-0WNL76) |
| Chemical Name | 3-(Phenoxymethyl)pyrrolidine hydrochloride |
| IUPAC Name | 3-(phenoxymethyl)pyrrolidine;hydrochloride |
| InChI | InChI=1S/C11H15NO.ClH/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10;/h1-5,10,12H,6-9H2;1H |
| InChI Key | KLFBGGKKHILQKB-UHFFFAOYSA-N |
| MDL Number | MFCD09997929 |
| Molecular Formula | C11H16ClNO |
| Molecular Weight | 213.7038 |
| SMILES | Cl.C(C1CNCC1)OC1=CC=CC=C1 |
| Synonyms | 3-(PHENOXYMETHYL)PYRROLIDINE HYDROCHLORIDE,
1185299-28-8,
3-(Phenoxymethyl)-pyrrolidine hydrochloride,
CTK5J7758,
3-(Phenoxymethyl)pyrrolidine HCl,
DTXSID70673801,
0356AD,
AKOS015848761,
NE30481,
TR-047618,
3-(Phenoxymethyl)pyrrolidine--hydrogen chloride (1/1),
C11H16ClNO,
N/A,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number