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892502-14-6 | Benzenemethanamine,2-(4-morpholinyl)-5-(trifluoromethyl)-
CAS No: 892502-14-6 Catalog No: AG0041V2 MDL No:
Product Description
Catalog Number:
AG0041V2
Chemical Name:
Benzenemethanamine,2-(4-morpholinyl)-5-(trifluoromethyl)-
CAS Number:
892502-14-6
Molecular Formula:
C12H15F3N2O
Molecular Weight:
260.2555
IUPAC Name:
[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine
InChI:
InChI=1S/C12H15F3N2O/c13-12(14,15)10-1-2-11(9(7-10)8-16)17-3-5-18-6-4-17/h1-2,7H,3-6,8,16H2
InChI Key:
IENPBNBXMPGBEX-UHFFFAOYSA-N
SMILES:
NCc1cc(ccc1N1CCOCC1)C(F)(F)F
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.26g/mol
Monoisotopic Mass:
260.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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