Home Other Building Blocks 1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethan-1-amine hydrochloride

1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethan-1-amine hydrochloride

CAS No.:
1354949-75-9
Catalog Number:
AG019T9L
Molecular Formula:
C13H15ClF3N3
Molecular Weight:
305.7265
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Product Description
Catalog Number:
AG019T9L
Chemical Name:
1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethan-1-amine hydrochloride
CAS Number:
1354949-75-9
Molecular Formula:
C13H15ClF3N3
Molecular Weight:
305.7265
MDL Number:
MFCD20731263
IUPAC Name:
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoroethanamine;hydrochloride
InChI:
InChI=1S/C13H14F3N3.ClH/c1-8-11(12(17)13(14,15)16)9(2)19(18-8)10-6-4-3-5-7-10;/h3-7,12H,17H2,1-2H3;1H
InChI Key:
BLSWWUVYACYQIP-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1C(C(F)(F)F)N)C)c1ccccc1.Cl
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.091g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
305.729g/mol
Monoisotopic Mass:
305.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties