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1192570-20-9 | 4-Morpholineethanamine, β-[2-(trifluoromethyl)-5-pyrimidinyl]-
CAS No: 1192570-20-9 Catalog No: AG000IGA MDL No:MFCD16877055
Product Description
Catalog Number:
AG000IGA
Chemical Name:
4-Morpholineethanamine, β-[2-(trifluoromethyl)-5-pyrimidinyl]-
CAS Number:
1192570-20-9
Molecular Formula:
C11H15F3N4O
Molecular Weight:
276.2582
MDL Number:
MFCD16877055
IUPAC Name:
2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
InChI:
InChI=1S/C11H15F3N4O/c12-11(13,14)10-16-6-8(7-17-10)9(5-15)18-1-3-19-4-2-18/h6-7,9H,1-5,15H2
InChI Key:
ANPTUIJETQUQQQ-UHFFFAOYSA-N
SMILES:
NCC(c1cnc(nc1)C(F)(F)F)N1CCOCC1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.12g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.263g/mol
Monoisotopic Mass:
276.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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