| CAS Number | 1185449-91-5 |
| Catalog Number | AG00973R(AGN-PC-0WQXQS) |
| Chemical Name | 4-Isoxazolepropanamine, 3,5-dimethyl-, hydrochloride (1:1) |
| IUPAC Name | 3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine;hydrochloride |
| InChI | InChI=1S/C8H14N2O.ClH/c1-6-8(4-3-5-9)7(2)11-10-6;/h3-5,9H2,1-2H3;1H |
| InChI Key | TVFWIBGXVDWVQM-UHFFFAOYSA-N |
| MDL Number | MFCD13031914 |
| Molecular Formula | C8H15ClN2O |
| Molecular Weight | 190.6705 |
| SMILES | NCCCC1=C(C)ON=C1C.[H]Cl |
| Synonyms | 1185449-91-5,
[3-(3,5-Dimethyl-4-isoxazolyl)propyl]amine hydrochloride,
3-(3,5-Dimethylisoxazol-4-yl)propan-1-amine hydrochloride,
ZX-CM004704,
MFCD13031914,
CS-0084025,
4-Isoxazolepropanamine, 3,5-dimethyl-, hydrochloride,
3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine;hydrochloride,
1-(4-methoxybenzoyl)piperazine,
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| Complexity | 119 |
| 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 | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number