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1000504-55-1 | 2-Pyridineethanamine, 6-(trifluoromethyl)-
CAS No: 1000504-55-1 Catalog No: AG0000O6 MDL No:MFCD09924461
Product Description
Catalog Number:
AG0000O6
Chemical Name:
2-Pyridineethanamine, 6-(trifluoromethyl)-
CAS Number:
1000504-55-1
Molecular Formula:
C8H9F3N2
Molecular Weight:
190.1657
MDL Number:
MFCD09924461
IUPAC Name:
2-[6-(trifluoromethyl)pyridin-2-yl]ethanamine
InChI:
InChI=1S/C8H9F3N2/c9-8(10,11)7-3-1-2-6(13-7)4-5-12/h1-3H,4-5,12H2
InChI Key:
CUMPHXGSZPTDQH-UHFFFAOYSA-N
SMILES:
NCCc1cccc(n1)C(F)(F)F
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.169g/mol
Monoisotopic Mass:
190.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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