Home Aminos 1-[4-(methylamino)cyclohexyl]-2,5-dihydro-1H-pyrrole-2,5-dione, trifluoroacetic acid

1-[4-(methylamino)cyclohexyl]-2,5-dihydro-1H-pyrrole-2,5-dione, trifluoroacetic acid

CAS No.:
1803588-22-8
Catalog Number:
AG01BBIE
Molecular Formula:
C13H17F3N2O4
Molecular Weight:
322.2803
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Product Description
Catalog Number:
AG01BBIE
Chemical Name:
1-[4-(methylamino)cyclohexyl]-2,5-dihydro-1H-pyrrole-2,5-dione, trifluoroacetic acid
CAS Number:
1803588-22-8
Molecular Formula:
C13H17F3N2O4
Molecular Weight:
322.2803
MDL Number:
MFCD28506019
IUPAC Name:
1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C11H16N2O2.C2HF3O2/c1-12-8-2-4-9(5-3-8)13-10(14)6-7-11(13)15;3-2(4,5)1(6)7/h6-9,12H,2-5H2,1H3;(H,6,7)
InChI Key:
BZYYTDHSKLHARM-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.CNC1CCC(CC1)N1C(=O)C=CC1=O
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.114g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
322.284g/mol
Monoisotopic Mass:
322.114g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties