| CAS Number | 1174668-77-9 |
| Catalog Number | AG00HDZ2(AGN-PC-0WR2XA) |
| Chemical Name | TERT-BUTYL 3-((PROPYLAMINO)METHYL) PYRROLIDINE-1-CARBOXYLATE |
| IUPAC Name | tert-butyl 3-(propylaminomethyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C13H26N2O2/c1-5-7-14-9-11-6-8-15(10-11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3 |
| InChI Key | ACRLWEMILPQECL-UHFFFAOYSA-N |
| MDL Number | MFCD14635781 |
| Molecular Formula | C13H26N2O2 |
| Molecular Weight | 242.3577 |
| SMILES | CCCNCC1CCN(C1)C(=O)OC(C)(C)C |
| Synonyms | 1174668-77-9,
tert-Butyl 3-((propylamino)methyl) pyrrolidine-1-carboxylate,
tert-Butyl 3-((propylamino)methyl)pyrrolidine-1-carboxylate,
MFCD14635781,
AS-44919,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.363g/mol |
| Monoisotopic Mass | 242.199g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number