| CAS Number | 1185294-74-9 |
| Catalog Number | AG00J3X0 |
| Chemical Name | {1-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}amine hydrochloride |
| IUPAC Name | 1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride |
| InChI | InChI=1S/C11H13N3O.ClH/c1-7-4-3-5-9(6-7)10-13-11(8(2)12)15-14-10;/h3-6,8H,12H2,1-2H3;1H |
| InChI Key | ZENMJKGXFHEPFL-UHFFFAOYSA-N |
| MDL Number | MFCD09997644 |
| Molecular Formula | C11H14ClN3O |
| Molecular Weight | 239.7014 |
| SMILES | N1C(C2C=CC=C(C)C=2)=NOC=1C(C)N.Cl |
| Synonyms | 1185294-74-9,
1-(3-m-Tolyl-[1,2,4]oxadiazol-5-yl)-ethylamine hydrochloride,
{1-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}amine hydrochloride,
1-(3-(m-Tolyl)-1,2,4-oxadiazol-5-yl)ethanamine hydrochloride,
CTK6C1025,
ZX-CM017744,
MFCD09997644,
AKOS015844684,
TR-049924,
1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine hydrochloride,
883547-44-2,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.703g/mol |
| Monoisotopic Mass | 239.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number