| CAS Number | 1207840-16-1 |
| Catalog Number | AG01DYHW |
| Chemical Name | Tert-butyl 3-(prop-2-yn-1-yl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-prop-2-ynylpyrrolidine-1-carboxylate |
| InChI | InChI=1S/C12H19NO2/c1-5-6-10-7-8-13(9-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3 |
| InChI Key | NHWWHIAYSRTQOJ-UHFFFAOYSA-N |
| MDL Number | MFCD12032214 |
| Molecular Formula | C12H19NO2 |
| Molecular Weight | 209.2848 |
| SMILES | CC(OC(N1CC(CC#C)CC1)=O)(C)C |
| Synonyms | TERT-BUTYL 3-(PROP-2-YNYL)PYRROLIDINE-1-CARBOXYLATE,
1207840-16-1,
SCHEMBL1904787,
NHWWHIAYSRTQOJ-UHFFFAOYSA-N,
AB65306,
DA-14394,
CS-0078571,
FT-0757440,
tert-Butyl 3-(prop-2-yn-1-yl)pyrrolidine-1-carboxylate,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.289g/mol |
| Monoisotopic Mass | 209.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number