Home Aminos 3-(1-amino-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-ol, trifluoroacetic acid

3-(1-amino-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-ol, trifluoroacetic acid

CAS No.:
1909326-28-8
Catalog Number:
AG01C53A
Molecular Formula:
C9H14F3N3O4
Molecular Weight:
285.2204
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Product Description
Catalog Number:
AG01C53A
Chemical Name:
3-(1-amino-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-ol, trifluoroacetic acid
CAS Number:
1909326-28-8
Molecular Formula:
C9H14F3N3O4
Molecular Weight:
285.2204
MDL Number:
MFCD29763286
IUPAC Name:
3-(1-amino-2,2-dimethylpropyl)-4H-1,2,4-oxadiazol-5-one;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C7H13N3O2.C2HF3O2/c1-7(2,3)4(8)5-9-6(11)12-10-5;3-2(4,5)1(6)7/h4H,8H2,1-3H3,(H,9,10,11);(H,6,7)
InChI Key:
IRLYJTUCNHZPMI-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.Oc1onc(n1)C(C(C)(C)C)N
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.094g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
285.223g/mol
Monoisotopic Mass:
285.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties