| CAS Number | 383127-28-4 |
| Catalog Number | AG00CAIF |
| Chemical Name | 2-(4-Ethoxyphenyl)pyrrolidine |
| IUPAC Name | 2-(4-ethoxyphenyl)pyrrolidine |
| InChI | InChI=1S/C12H17NO/c1-2-14-11-7-5-10(6-8-11)12-4-3-9-13-12/h5-8,12-13H,2-4,9H2,1H3 |
| InChI Key | PAFDTMCQTGTHTN-UHFFFAOYSA-N |
| MDL Number | MFCD02663440 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | CCOC1=CC=C(C2NCCC2)C=C1 |
| Synonyms | 2-(4-ethoxyphenyl)pyrrolidine,
383127-28-4,
AC1NMASE,
AC1Q36GN,
SCHEMBL21427,
CTK6G1821,
DTXSID00407419,
2-(4-Ethoxy-phenyl)-pyrrolidine,
BBL021428,
STK894141,
AKOS000199376,
AKOS016343577,
MCULE-4295315346,
NE30991,
BB 0249500,
EN300-13930,
Z94599212,
CID5002631,
74190-66-2,
|
| Complexity | 164 |
| 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 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number