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1496-40-8 | Benzenamine, 2-(1-piperidinyl)-5-(trifluoromethyl)-
CAS No: 1496-40-8 Catalog No: AG001LVA MDL No:MFCD00042161
Product Description
Catalog Number:
AG001LVA
Chemical Name:
Benzenamine, 2-(1-piperidinyl)-5-(trifluoromethyl)-
CAS Number:
1496-40-8
Molecular Formula:
C12H15F3N2
Molecular Weight:
244.2561
MDL Number:
MFCD00042161
IUPAC Name:
2-piperidin-1-yl-5-(trifluoromethyl)aniline
InChI:
InChI=1S/C12H15F3N2/c13-12(14,15)9-4-5-11(10(16)8-9)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,16H2
InChI Key:
BERRRZOJDANPHE-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.119g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.261g/mol
Monoisotopic Mass:
244.119g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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