Home Other Building Blocks 4-morpholin-4-yl-2-(trifluoromethyl)aniline

4-morpholin-4-yl-2-(trifluoromethyl)aniline

CAS No.:
78335-26-9
Catalog Number:
AG00GH3B
Molecular Formula:
C11H13F3N2O
Molecular Weight:
246.2289
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Product Description
Catalog Number:
AG00GH3B
Chemical Name:
4-morpholin-4-yl-2-(trifluoromethyl)aniline
CAS Number:
78335-26-9
Molecular Formula:
C11H13F3N2O
Molecular Weight:
246.2289
MDL Number:
MFCD01436021
IUPAC Name:
4-morpholin-4-yl-2-(trifluoromethyl)aniline
InChI:
InChI=1S/C11H13F3N2O/c12-11(13,14)9-7-8(1-2-10(9)15)16-3-5-17-6-4-16/h1-2,7H,3-6,15H2
InChI Key:
DZEZKCZKDBIQSW-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1C(F)(F)F)N1CCOCC1
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.098g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.233g/mol
Monoisotopic Mass:
246.098g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties