| CAS Number | 1244059-30-0 |
| Catalog Number | AG00HHNS(AGN-PC-0WG3SQ) |
| Chemical Name | [2-(5-ISOPROPYL-1,2,4-OXADIAZOL-3-YL)ETHYL]AMINE HYDROCHLORIDE |
| IUPAC Name | 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C7H13N3O.ClH/c1-5(2)7-9-6(3-4-8)10-11-7;/h5H,3-4,8H2,1-2H3;1H |
| InChI Key | QDIOORFOWCJUFK-UHFFFAOYSA-N |
| MDL Number | MFCD26959555 |
| Molecular Formula | C7H14ClN3O |
| Molecular Weight | 191.6586 |
| SMILES | N1C(CCN)=NOC=1C(C)C.Cl |
| Synonyms | 1244059-30-0,
2-(5-ISOPROPYL-1,2,4-OXADIAZOL-3-YL)ETHANAMINE HYDROCHLORIDE,
[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]amine hydrochloride,
SCHEMBL3806743,
ZX-CM004399,
MFCD26959555,
CS-0037979,
2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride,
2-(2-pyridinylthio)ethanamine,
915702-29-3,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.659g/mol |
| Monoisotopic Mass | 191.083g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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