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387350-39-2 | 3-(Aminomethyl)-6-(trifluoromethyl)pyridine
CAS No: 387350-39-2 Catalog No: AG003I68 MDL No:MFCD01862649
Product Description
Catalog Number:
AG003I68
Chemical Name:
3-(Aminomethyl)-6-(trifluoromethyl)pyridine
CAS Number:
387350-39-2
Molecular Formula:
C7H7F3N2
Molecular Weight:
176.1391
MDL Number:
MFCD01862649
IUPAC Name:
[6-(trifluoromethyl)pyridin-3-yl]methanamine
InChI:
InChI=1S/C7H7F3N2/c8-7(9,10)6-2-1-5(3-11)4-12-6/h1-2,4H,3,11H2
InChI Key:
XPXVAYGVYBQKDE-UHFFFAOYSA-N
SMILES:
NCc1ccc(nc1)C(F)(F)F
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.142g/mol
Monoisotopic Mass:
176.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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