| CAS Number | 946716-05-8 |
| Catalog Number | AG00J1PV(AGN-PC-0WB3VK) |
| Chemical Name | 3-(Propoxymethyl)pyrrolidine |
| IUPAC Name | 3-(propoxymethyl)pyrrolidine |
| InChI | InChI=1S/C8H17NO/c1-2-5-10-7-8-3-4-9-6-8/h8-9H,2-7H2,1H3 |
| InChI Key | PSEAKSBJJHAVGC-UHFFFAOYSA-N |
| MDL Number | MFCD08688519 |
| Molecular Formula | C8H17NO |
| Molecular Weight | 143.2267 |
| SMILES | N1CCC(COCCC)C1 |
| Synonyms | 3-(PROPOXYMETHYL)PYRROLIDINE,
946716-05-8,
SCHEMBL15108742,
CTK6E6300,
Pyrrolidine, 3-(propoxymethyl)-,
4079AF,
MFCD08688519,
AKOS005264375,
BB 0259951,
Y-4088,
C8H17NO,
3-(PROPOXYMETHYL)PYRROLIDINE HYDROCHLORIDE,
|
| Complexity | 85.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.23g/mol |
| Monoisotopic Mass | 143.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number