| CAS Number | 1049873-28-0 |
| Catalog Number | AG019MAI |
| Chemical Name | dimethyl({[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl})amine |
| IUPAC Name | N,N-dimethyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methanamine |
| InChI | InChI=1S/C11H12N4O3/c1-14(2)7-10-12-11(13-18-10)8-3-5-9(6-4-8)15(16)17/h3-6H,7H2,1-2H3 |
| InChI Key | CEQVOOGLHNALOH-UHFFFAOYSA-N |
| MDL Number | MFCD10686715 |
| Molecular Formula | C11H12N4O3 |
| Molecular Weight | 248.2380 |
| SMILES | CN(CC1ON=C(C2=CC=C([N+]([O-])=O)C=C2)N=1)C |
| Synonyms | dimethyl({[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl})amine,
1049873-28-0,
N,N-dimethyl-N-{[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl}amine,
AC1Q3WOM,
CHEMBL4101975,
CTK6I0523,
ZINC12480727,
AKOS034243537,
MCULE-1186597752,
NE29253,
EN300-35598,
Z367452238,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.242g/mol |
| Monoisotopic Mass | 248.091g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number