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695221-81-9 | 2-(2,6-Dimethyl-morpholin-4-yl)-5-trifluoromethylaniline
CAS No: 695221-81-9 Catalog No: AG01EX04 MDL No:MFCD04060352
Product Description
Catalog Number:
AG01EX04
Chemical Name:
2-(2,6-Dimethyl-morpholin-4-yl)-5-trifluoromethylaniline
CAS Number:
695221-81-9
Molecular Formula:
C13H17F3N2O
Molecular Weight:
274.2821
MDL Number:
MFCD04060352
IUPAC Name:
2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)aniline
InChI:
InChI=1S/C13H17F3N2O/c1-8-6-18(7-9(2)19-8)12-4-3-10(5-11(12)17)13(14,15)16/h3-5,8-9H,6-7,17H2,1-2H3
InChI Key:
XQKLHCUNXVTWAH-UHFFFAOYSA-N
SMILES:
CC1OC(C)CN(C1)c1ccc(cc1N)C(F)(F)F
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.129g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.287g/mol
Monoisotopic Mass:
274.129g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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