Home Other Building Blocks 2,5,8-triazaspiro[3.6]decan-9-one, bis(trifluoroacetic acid)

2,5,8-triazaspiro[3.6]decan-9-one, bis(trifluoroacetic acid)

CAS No.:
2060041-91-8
Catalog Number:
AG01BRHM
Molecular Formula:
C11H15F6N3O5
Molecular Weight:
383.2443
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Product Description
Catalog Number:
AG01BRHM
Chemical Name:
2,5,8-triazaspiro[3.6]decan-9-one, bis(trifluoroacetic acid)
CAS Number:
2060041-91-8
Molecular Formula:
C11H15F6N3O5
Molecular Weight:
383.2443
MDL Number:
MFCD30535728
IUPAC Name:
2,5,8-triazaspiro[3.6]decan-9-one;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C7H13N3O.2C2HF3O2/c11-6-3-7(4-8-5-7)10-2-1-9-6;2*3-2(4,5)1(6)7/h8,10H,1-5H2,(H,9,11);2*(H,6,7)
InChI Key:
UILQRXOVAIVLPU-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.O=C1NCCNC2(C1)CNC2
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.092g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
383.247g/mol
Monoisotopic Mass:
383.092g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties