| CAS Number | 344746-40-3 |
| Catalog Number | AG00CZ57(AGN-PC-0WOF0L) |
| Chemical Name | 3-(pentan-3-yl)-1,2-oxazol-5-amine |
| IUPAC Name | 3-pentan-3-yl-1,2-oxazol-5-amine |
| InChI | InChI=1S/C8H14N2O/c1-3-6(4-2)7-5-8(9)11-10-7/h5-6H,3-4,9H2,1-2H3 |
| InChI Key | WATBXBFPSOTARH-UHFFFAOYSA-N |
| MDL Number | MFCD10690494 |
| Molecular Formula | C8H14N2O |
| Molecular Weight | 154.2096 |
| SMILES | CCC(C1=NOC(N)=C1)CC |
| Synonyms | 344746-40-3,
3-(Pentan-3-yl)isoxazol-5-amine,
ZINC26515488,
AKOS009235338,
3-(pentan-3-yl)-1,2-oxazol-5-amine,
5-Isoxazolamine, 3-(1-ethylpropyl)- (9CI),
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.213g/mol |
| Monoisotopic Mass | 154.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number