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125278-10-6

125278-10-6 | 2-Propanamine, 1,1,1-trifluoro-, (2S)-

CAS No: 125278-10-6 Catalog No: AG000NFN MDL No:MFCD09265470

Product Description

Catalog Number:
AG000NFN
Chemical Name:
2-Propanamine, 1,1,1-trifluoro-, (2S)-
CAS Number:
125278-10-6
Molecular Formula:
C3H6F3N
Molecular Weight:
113.0816
MDL Number:
MFCD09265470
IUPAC Name:
(2S)-1,1,1-trifluoropropan-2-amine
InChI:
InChI=1S/C3H6F3N/c1-2(7)3(4,5)6/h2H,7H2,1H3/t2-/m0/s1
InChI Key:
SNMLKBMPULDPTA-REOHCLBHSA-N
SMILES:
C[C@@H](C(F)(F)F)N

Properties

Complexity:
57.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
113.045g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
113.083g/mol
Monoisotopic Mass:
113.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Literature

Title Journal
Synthesis and SAR of [1,2,4]triazolo[1,5-a]pyrimidines, a class of anticancer agents with a unique mechanism of tubulin inhibition. Journal of medicinal chemistry 20070125

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