4-(2-Aminoethyl)-3-tert-butylisoxazol-5(2h)-one - CAS 952959-48-7
Catalog: |
BB074847 |
Product Name: |
4-(2-Aminoethyl)-3-tert-butylisoxazol-5(2h)-one |
CAS: |
952959-48-7 |
Synonyms: |
4-(2-Aminoethyl)-3-(1,1-Dimethylethyl)-5(2H)-isoxazolone |
IUPAC Name: | 4-(2-aminoethyl)-3-tert-butyl-2H-1,2-oxazol-5-one |
Description: | 4-(2-Aminoethyl)-3-tert-butylisoxazol-5(2h)-one |
Molecular Weight: | 184.24 |
Molecular Formula: | C9H16N2O2 |
Canonical SMILES: | CC(C)(C)C1=C(C(=O)ON1)CCN |
InChI: | InChI=1S/C9H16N2O2/c1-9(2,3)7-6(4-5-10)8(12)13-11-7/h11H,4-5,10H2,1-3H3 |
InChI Key: | WJRYPJXBXGOFPD-UHFFFAOYSA-N |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.121177757 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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