Home Other Building Blocks 2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine

2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine

CAS No.:
1152551-09-1
Catalog Number:
AG01BF91
Molecular Formula:
C6H8F3N3
Molecular Weight:
179.1430
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Product Description
Catalog Number:
AG01BF91
Chemical Name:
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CAS Number:
1152551-09-1
Molecular Formula:
C6H8F3N3
Molecular Weight:
179.1430
MDL Number:
MFCD11193881
IUPAC Name:
2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine
InChI:
InChI=1S/C6H8F3N3/c1-12-3-4(2-11-12)5(10)6(7,8)9/h2-3,5H,10H2,1H3
InChI Key:
MPDTYUYXTQCMOL-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)C(C(F)(F)F)N
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.067g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.146g/mol
Monoisotopic Mass:
179.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties