| CAS Number | 1227461-24-6 |
| Catalog Number | AG019T1P(AGN-PC-0WOWKL) |
| Chemical Name | tert-Butyl 3-amino-4-cyano-2,5-dihydro-1H-pyrrole-1-carboxylate |
| IUPAC Name | tert-butyl 3-amino-4-cyano-2,5-dihydropyrrole-1-carboxylate |
| InChI | InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-5-7(4-11)8(12)6-13/h5-6,12H2,1-3H3 |
| InChI Key | ZUWAEUIARMWGSF-UHFFFAOYSA-N |
| MDL Number | MFCD00794502 |
| Molecular Formula | C10H15N3O2 |
| Molecular Weight | 209.2450 |
| SMILES | CC(C)(C)OC(=O)N1CC(=C(C1)N)C#N |
| Synonyms | TERT-BUTYL 3-AMINO-4-CYANO-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXYLATE,
1227461-24-6,
SCHEMBL2493397,
ZUWAEUIARMWGSF-UHFFFAOYSA-N,
MFCD21602487,
ZINC72266359,
AKOS026745248,
FCH1629163,
AS-41936,
EN300-95861,
t-Butyl 3-amino-4-cyano-2,5-dihydro-1H-pyrrole-1-carboxylate,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.249g/mol |
| Monoisotopic Mass | 209.116g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number