Home Aminos 1-(3-aminoazetidin-1-yl)ethan-1-one, trifluoroacetic acid

1-(3-aminoazetidin-1-yl)ethan-1-one, trifluoroacetic acid

CAS No.:
1449278-64-1
Catalog Number:
AG01EJAV
Molecular Formula:
C7H11F3N2O3
Molecular Weight:
228.1690
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Product Description
Catalog Number:
AG01EJAV
Chemical Name:
1-(3-aminoazetidin-1-yl)ethan-1-one, trifluoroacetic acid
CAS Number:
1449278-64-1
Molecular Formula:
C7H11F3N2O3
Molecular Weight:
228.1690
MDL Number:
MFCD31666796
IUPAC Name:
1-(3-aminoazetidin-1-yl)ethanone;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C5H10N2O.C2HF3O2/c1-4(8)7-2-5(6)3-7;3-2(4,5)1(6)7/h5H,2-3,6H2,1H3;(H,6,7)
InChI Key:
KGWPTXYHRCFENE-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NC1CN(C1)C(=O)C
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.072g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.171g/mol
Monoisotopic Mass:
228.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties