| CAS Number | 889940-63-0 |
| Catalog Number | AG01A7RY(AGN-PC-0WO1C3) |
| Chemical Name | 2-Tert-butyl-5-hydrazinyl-1,3-oxazole-4-carbonitrile |
| IUPAC Name | 2-tert-butyl-5-hydrazinyl-1,3-oxazole-4-carbonitrile |
| InChI | InChI=1S/C8H12N4O/c1-8(2,3)7-11-5(4-9)6(12-10)13-7/h12H,10H2,1-3H3 |
| InChI Key | LCJOUPGKBCXCJA-UHFFFAOYSA-N |
| MDL Number | MFCD08436229 |
| Molecular Formula | C8H12N4O |
| Molecular Weight | 180.2071 |
| SMILES | CC(C1OC(NN)=C(C#N)N=1)(C)C |
| Synonyms | 2-tert-butyl-5-hydrazinyl-1,3-oxazole-4-carbonitrile,
889940-63-0,
2-(tert-Butyl)-5-hydrazinyloxazole-4-carbonitrile,
AC1Q1MCB,
CTK7F1897,
STL218665,
ZINC39947615,
AKOS006239569,
MCULE-3598831264,
NE25432,
ST45242348,
EN300-59635,
2-(tert-butyl)-5-hydrazino-1,3-oxazole-4-carbonitrile,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.211g/mol |
| Monoisotopic Mass | 180.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number