Home Amines 101988-70-9
101988-70-9,MFCD00452913
Catalog No.:AA000632
101988-70-9 | N-Methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
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Technical Information
Catalog Number:
AA000632
Chemical Name:
N-Methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CAS Number:
101988-70-9
Molecular Formula:
C6H8F3N5O
Molecular Weight:
223.1558
MDL Number:
MFCD00452913
IUPAC Name:
2-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C6H8F3N5O/c1-11-4-12-3(10)13-5(14-4)15-2-6(7,8)9/h2H2,1H3,(H3,10,11,12,13,14)
InChI Key:
JNLDCQPAUYHHTN-UHFFFAOYSA-N
SMILES:
CNc1nc(OCC(F)(F)F)nc(n1)N
Properties
Computed Properties
 
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.068g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.159g/mol
Monoisotopic Mass:
223.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
101988-70-9 
N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine 
JNLDCQPAUYHHTN-UHFFFAOYSA-N 
ZINC1225179 
ZX-CM015127 
MFCD00452913 
AKOS003672085 
MCULE-4259100489 
AJ-25105 
W-6923 
AB00073565-01 
2-Amino-4-methylamino-6-trifluoroethoxy-1,3,5-triazine 
STK076603 
1,3,5-Triazine-2,4-diamine, N2-methyl-6-(2,2,2-trifluoroethoxy)- 
ZINC01225179 
CID1375559 
2-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine 
N2-Methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine 
CHEMBRDG-BB 5101387 
AC1LQGEM 
SCHEMBL10362552 
CTK4A0526 
DTXSID80362395 
Literature
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