| CAS Number | 78531-50-7 |
| Catalog Number | AG01DWO4 |
| Chemical Name | 2-(pyrrolidin-1-yl)propane-1,3-diol |
| IUPAC Name | 2-pyrrolidin-1-ylpropane-1,3-diol |
| InChI | InChI=1S/C7H15NO2/c9-5-7(6-10)8-3-1-2-4-8/h7,9-10H,1-6H2 |
| InChI Key | DFFIMWGZWCJZEK-UHFFFAOYSA-N |
| MDL Number | MFCD20529581 |
| Molecular Formula | C7H15NO2 |
| Molecular Weight | 145.1995 |
| SMILES | OCC(N1CCCC1)CO |
| Synonyms | 2-(pyrrolidin-1-yl)propane-1,3-diol,
78531-50-7,
|
| Complexity | 87.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.202g/mol |
| Monoisotopic Mass | 145.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
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Certificate of Analysis
Lot Number