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1000504-75-5

1000504-75-5 | 3-Pyridineethanamine, 5-(trifluoromethyl)-

CAS No: 1000504-75-5 Catalog No: AG0000O4 MDL No:

Product Description

Catalog Number:
AG0000O4
Chemical Name:
3-Pyridineethanamine, 5-(trifluoromethyl)-
CAS Number:
1000504-75-5
Molecular Formula:
C8H9F3N2
Molecular Weight:
190.1657
IUPAC Name:
2-[5-(trifluoromethyl)pyridin-3-yl]ethanamine
InChI:
InChI=1S/C8H9F3N2/c9-8(10,11)7-3-6(1-2-12)4-13-5-7/h3-5H,1-2,12H2
InChI Key:
NBUBEHXBLFQCMH-UHFFFAOYSA-N
SMILES:
NCCc1cncc(c1)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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