| CAS Number | 1269052-67-6 |
| Catalog Number | AG00J25T |
| Chemical Name | [(5-isopropyl-3-isoxazolyl)methyl]methylamine hydrochloride |
| IUPAC Name | N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C8H14N2O.ClH/c1-6(2)8-4-7(5-9-3)10-11-8;/h4,6,9H,5H2,1-3H3;1H |
| InChI Key | LIEWUOAGLSPEAP-UHFFFAOYSA-N |
| MDL Number | MFCD18483529 |
| Molecular Formula | C8H15ClN2O |
| Molecular Weight | 190.6705 |
| SMILES | N1=C(CNC)C=C(C(C)C)O1.Cl |
| Synonyms | 1269052-67-6,
[(5-Isopropyl-3-isoxazolyl)methyl]methylamine hydrochloride,
1-(5-isopropylisoxazol-3-yl)-N-methylmethanamine hydrochloride,
ZX-CM008158,
MFCD18483529,
AKOS026705674,
MCULE-8624662615,
F8885-1551,
1-(5-ISOPROPYL-3-ISOXAZOLYL)-N-METHYLMETHANAMINE HYDROCHLORIDE,
1160246-01-4,
|
| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.671g/mol |
| Monoisotopic Mass | 190.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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