| CAS Number | 1609395-57-4 |
| Catalog Number | AG00J227 |
| Chemical Name | [(3,5-dimethyl-4,5-dihydro-5-isoxazolyl)methyl]amine hydrochloride |
| IUPAC Name | (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C6H12N2O.ClH/c1-5-3-6(2,4-7)9-8-5;/h3-4,7H2,1-2H3;1H |
| InChI Key | HRFJEAAQQIKEKL-UHFFFAOYSA-N |
| MDL Number | MFCD26959724 |
| Molecular Formula | C6H13ClN2O |
| Molecular Weight | 164.6332 |
| SMILES | N1=C(C)CC(C)(CN)O1.Cl |
| Synonyms | [(3,5-dimethyl-4,5-dihydro-5-isoxazolyl)methyl]amine hydrochloride,
1609395-57-4,
ZX-CM007664,
MFCD26959724,
1-(3,5-DIMETHYL-4,5-DIHYDRO-5-ISOXAZOLYL)METHANAMINE HYDROCHLORIDE,
1160246-57-0,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.633g/mol |
| Monoisotopic Mass | 164.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number