| CAS Number | 1017228-56-6 |
| Catalog Number | AG00VSAL(AGN-PC-0WBKBO) |
| Chemical Name | (5-Methyl-1,3-Oxazol-2-Yl)Methanamine |
| IUPAC Name | (5-methyl-1,3-oxazol-2-yl)methanamine |
| InChI | InChI=1S/C5H8N2O/c1-4-3-7-5(2-6)8-4/h3H,2,6H2,1H3 |
| InChI Key | FKQACWXKOPSSDV-UHFFFAOYSA-N |
| MDL Number | MFCD09884236 |
| Molecular Formula | C5H8N2O |
| Molecular Weight | 112.1298 |
| SMILES | CC1OC(CN)=NC=1 |
| Synonyms | (5-methyl-1,3-oxazol-2-yl)methanamine,
1017228-56-6,
(5-Methyloxazol-2-yl)methanamine,
2-Oxazolemethanamine, 5-methyl-,
SCHEMBL15229691,
(5-Methyl-2-oxazolyl)methanamine,
FKQACWXKOPSSDV-UHFFFAOYSA-N,
MFCD09884236,
ZINC11587002,
AKOS006312068,
MCULE-2332980863,
SB22876,
BS-12957,
CS-0058031,
(5-methyl-1,3-oxazol-2-yl)methylamine, AldrichCPR,
F1967-2304,
|
| Complexity | 76.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.132g/mol |
| Monoisotopic Mass | 112.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number