4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(trifluoromethyl)aniline


Chemical Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(trifluoromethyl)aniline
CAS Number: 914348-87-1
Product Number: AG00GRHZ(AGN-PC-07A1F5)
Synonyms:
MDL No:
Molecular Formula: C16H15F3N2
Molecular Weight: 292.2989

Identification/Properties


Computed Properties
Molecular Weight:
292.305g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
292.119g/mol
Monoisotopic Mass:
292.119g/mol
Topological Polar Surface Area:
29.3A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
358
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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