| CAS Number | 1042642-42-1 |
| Catalog Number | AG01A2II(AGN-PC-0WO137) |
| Chemical Name | N-[(dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine |
| IUPAC Name | N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine |
| InChI | InChI=1S/C9H14N2O/c1-6-9(7(2)12-11-6)5-10-8-3-4-8/h8,10H,3-5H2,1-2H3 |
| InChI Key | WOQINBWXORXYAX-UHFFFAOYSA-N |
| MDL Number | MFCD11170568 |
| Molecular Formula | C9H14N2O |
| Molecular Weight | 166.2203 |
| SMILES | CC1C(CNC2CC2)=C(C)ON=1 |
| Synonyms | N-[(dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine,
1042642-42-1,
ZINC20252761,
AKOS009005923,
MCULE-5785526539,
NE54546,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.224g/mol |
| Monoisotopic Mass | 166.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number