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873087-32-2 | Pyridin-3-yl-(4-trifluoromethyl-benzyl)-amine dihydrochloride
CAS No: 873087-32-2 Catalog No: AG004OQA MDL No:
Product Description
Catalog Number:
AG004OQA
Chemical Name:
Pyridin-3-yl-(4-trifluoromethyl-benzyl)-amine dihydrochloride
CAS Number:
873087-32-2
Molecular Formula:
C13H13Cl2F3N2
Molecular Weight:
325.1569
IUPAC Name:
N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride
InChI:
InChI=1S/C13H11F3N2.2ClH/c14-13(15,16)11-5-3-10(4-6-11)8-18-12-2-1-7-17-9-12;;/h1-7,9,18H,8H2;2*1H
InChI Key:
YGHGMQRWXVOPKT-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)CNc1cccnc1)(F)F.Cl.Cl
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
325.156g/mol
Monoisotopic Mass:
324.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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