4-(2-Aminoethyl)-3-methylisoxazol-5(2h)-one - CAS 952958-72-4
Catalog: |
BB074838 |
Product Name: |
4-(2-Aminoethyl)-3-methylisoxazol-5(2h)-one |
CAS: |
952958-72-4 |
Synonyms: |
4-(2-Aminoethyl)-3-methyl-5(2H)-isoxazolone |
IUPAC Name: | 4-(2-aminoethyl)-3-methyl-2H-1,2-oxazol-5-one |
Description: | 4-(2-Aminoethyl)-3-methylisoxazol-5(2h)-one |
Molecular Weight: | 142.16 |
Molecular Formula: | C6H10N2O2 |
Canonical SMILES: | CC1=C(C(=O)ON1)CCN |
InChI: | InChI=1S/C6H10N2O2/c1-4-5(2-3-7)6(9)10-8-4/h8H,2-3,7H2,1H3 |
InChI Key: | ZHRKQUXAMSOWHS-UHFFFAOYSA-N |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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