| CAS Number | 21080-85-3 |
| Catalog Number | AG002KZM(AGN-PC-003JBK) |
| Chemical Name | 5-Cyclopropylisoxazol-3-amine |
| IUPAC Name | 5-cyclopropyl-1,2-oxazol-3-amine |
| InChI | InChI=1S/C6H8N2O/c7-6-3-5(9-8-6)4-1-2-4/h3-4H,1-2H2,(H2,7,8) |
| InChI Key | VIFVLPWELQGBKF-UHFFFAOYSA-N |
| MDL Number | MFCD18379724 |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.1405 |
| SMILES | Nc1noc(c1)C1CC1 |
| Synonyms | 5-Cyclopropylisoxazol-3-amine,
21080-85-3,
5-cyclopropyl-1,2-oxazol-3-amine,
3-Isoxazolamine, 5-cyclopropyl-,
5-Cyclopropylisoxazole-3-amine,
SCHEMBL2728693,
CTK0J8044,
DTXSID70567594,
VIFVLPWELQGBKF-UHFFFAOYSA-N,
ZINC34446935,
AKOS006315579,
NE59341,
FT-0706595,
Z2692198848,
5-cyclopropyl-3-Isoxazolamine,
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.143g/mol |
| Monoisotopic Mass | 124.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number