Home Carboxys 1-tert-butyl 3-methyl 3-aminoazetidine-1,3-dicarboxylate, trifluoroacetic acid

1-tert-butyl 3-methyl 3-aminoazetidine-1,3-dicarboxylate, trifluoroacetic acid

CAS No.:
2097953-60-9
Catalog Number:
AG01EJIO
Molecular Formula:
C12H19F3N2O6
Molecular Weight:
344.2843
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Product Description
Catalog Number:
AG01EJIO
Chemical Name:
1-tert-butyl 3-methyl 3-aminoazetidine-1,3-dicarboxylate, trifluoroacetic acid
CAS Number:
2097953-60-9
Molecular Formula:
C12H19F3N2O6
Molecular Weight:
344.2843
MDL Number:
MFCD30749802
IUPAC Name:
1-O-tert-butyl 3-O-methyl 3-aminoazetidine-1,3-dicarboxylate;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C10H18N2O4.C2HF3O2/c1-9(2,3)16-8(14)12-5-10(11,6-12)7(13)15-4;3-2(4,5)1(6)7/h5-6,11H2,1-4H3;(H,6,7)
InChI Key:
WRJRRJCTOHSTNF-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.COC(=O)C1(N)CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.12g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
344.287g/mol
Monoisotopic Mass:
344.12g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties