| CAS Number | 1369069-92-0 |
| Catalog Number | AG01C722 |
| Chemical Name | 4H,5H,6H,7H,8H-Cyclohepta[d][1,2]oxazol-3-amine |
| IUPAC Name | 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine |
| InChI | InChI=1S/C8H12N2O/c9-8-6-4-2-1-3-5-7(6)11-10-8/h1-5H2,(H2,9,10) |
| InChI Key | MTCJXSJBHHNIPK-UHFFFAOYSA-N |
| MDL Number | MFCD21875912 |
| Molecular Formula | C8H12N2O |
| Molecular Weight | 152.1937 |
| SMILES | O1N=C(C2=C1CCCCC2)N |
| Synonyms | 4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazol-3-amine,
1369069-92-0,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.197g/mol |
| Monoisotopic Mass | 152.095g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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