| CAS Number | 82589-41-1 |
| Catalog Number | AG019W4P(AGN-PC-0WO9IR) |
| Chemical Name | 2-[(3-Methoxyphenyl)methyl]pyrrolidine |
| IUPAC Name | 2-[(3-methoxyphenyl)methyl]pyrrolidine |
| InChI | InChI=1S/C12H17NO/c1-14-12-6-2-4-10(9-12)8-11-5-3-7-13-11/h2,4,6,9,11,13H,3,5,7-8H2,1H3 |
| InChI Key | IYXHWZSBBUXBCD-UHFFFAOYSA-N |
| MDL Number | MFCD02663483 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | COC1=CC(CC2NCCC2)=CC=C1 |
| Synonyms | 2-[(3-methoxyphenyl)methyl]pyrrolidine,
82589-41-1,
2-(3-methoxybenzyl)pyrrolidine,
(2s)-2-[(3-methoxyphenyl)methyl]-pyrrolidine,
848073-31-4,
AC1N0DE1,
AC1Q48DK,
SCHEMBL3154073,
CTK7A9389,
2-(3-Methoxy-benzyl)-pyrrolidine,
AKOS000159443,
AKOS016343680,
MCULE-9660636070,
NE53376,
DA-03081,
BB 0249519,
FT-0734919,
EN300-50516,
Z1029460366,
CID3915254,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.274g/mol |
| Monoisotopic Mass | 191.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number