| CAS Number | 120771-20-2 |
| Catalog Number | AG00975R(AGN-PC-001HBP) |
| Chemical Name | 5-tert-butyl-4-methylisoxazol-3-amine |
| IUPAC Name | 5-tert-butyl-4-methyl-1,2-oxazol-3-amine |
| InChI | InChI=1S/C8H14N2O/c1-5-6(8(2,3)4)11-10-7(5)9/h1-4H3,(H2,9,10) |
| InChI Key | RLIMGYSPDXCPNA-UHFFFAOYSA-N |
| MDL Number | MFCD18818508 |
| Molecular Formula | C8H14N2O |
| Molecular Weight | 154.2096 |
| SMILES | CC1=C(C(C)(C)C)ON=C1N |
| Synonyms | 120771-20-2,
5-(tert-Butyl)-4-methylisoxazol-3-amine,
5-tert-butyl-4-methylisoxazol-3-amine,
SCHEMBL10514792,
RLIMGYSPDXCPNA-UHFFFAOYSA-N,
MFCD18818508,
ZINC34301566,
AKOS013566941,
5-tert-butyl-4-methyl-isoxazole-3-amine,
5-tert-butyl-4-methyl-1,2-oxazol-3-amine,
3-Isoxazolamine,5-(1,1-dimethylethyl)-4-methyl-(9CI),
3-Isoxazolamine, 5-(1,1-dimethylethyl)-4-methyl- (9CI),
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| Complexity | 142 |
| 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 | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number