| CAS Number | 930395-88-3 |
| Catalog Number | AG00H5EP(AGN-PC-0WQXNX) |
| Chemical Name | tert-Butyl cyano(pyrazin-2-yl)acetate |
| IUPAC Name | tert-butyl 2-cyano-2-pyrazin-2-ylacetate |
| InChI | InChI=1S/C11H13N3O2/c1-11(2,3)16-10(15)8(6-12)9-7-13-4-5-14-9/h4-5,7-8H,1-3H3 |
| InChI Key | LWVNNGDSNSDZKD-UHFFFAOYSA-N |
| MDL Number | MFCD09376387 |
| Molecular Formula | C11H13N3O2 |
| Molecular Weight | 219.2398 |
| SMILES | C(#N)C(C(=O)OC(C)(C)C)C1=NC=CN=C1 |
| Synonyms | tert-butyl 2-cyano-2-(pyrazin-2-yl)acetate,
930395-88-3,
tert-butyl cyano(pyrazin-2-yl)acetate,
EN300-27570,
AC1Q1MPN,
SCHEMBL17444316,
CTK7C5397,
MFCD09376387,
AKOS027338723,
MCULE-7966980448,
NE55277,
NCGC00330577-01,
AS-35427,
DA-00823,
FT-0740591,
AB01324521-02,
Z235345063,
2-Pyrazineacetic acid, alpha-cyano-, 1,1-dimethylethyl ester,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.244g/mol |
| Monoisotopic Mass | 219.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number