[(3-Ethyl-4,5-dihydroisoxazol-5-yl)methyl]amine hydrochloride - CAS 1185294-97-6
Catalog: |
BB053183 |
Product Name: |
[(3-Ethyl-4,5-dihydroisoxazol-5-yl)methyl]amine hydrochloride |
CAS: |
1185294-97-6 |
Synonyms: |
[(3-ethyl-4,5-dihydro-5-isoxazolyl)methyl]amine hydrochloride; (3-Ethyl-4,5-dihydroisoxazol-5-yl)methanamine hydrochloride |
IUPAC Name: | (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride |
Molecular Weight: | 164.63 |
Molecular Formula: | C6H13ClN2O |
Canonical SMILES: | CCC1=NOC(C1)CN.Cl |
InChI: | InChI=1S/C6H12N2O.ClH/c1-2-5-3-6(4-7)9-8-5;/h6H,2-4,7H2,1H3;1H |
InChI Key: | LDDPLKQLABUGHJ-UHFFFAOYSA-N |
Purity: | 95% |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.0716407 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.0716407 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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