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83908-84-3 | 1H-Pyrazol-3-amine, N-butyl-4,5-dihydro-1-[3-(trifluoromethyl)phenyl]-
CAS No: 83908-84-3 Catalog No: AG004RFJ MDL No:
Product Description
Catalog Number:
AG004RFJ
Chemical Name:
1H-Pyrazol-3-amine, N-butyl-4,5-dihydro-1-[3-(trifluoromethyl)phenyl]-
CAS Number:
83908-84-3
Molecular Formula:
C14H18F3N3
Molecular Weight:
285.3080
IUPAC Name:
N-butyl-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-imine
InChI:
InChI=1S/C14H18F3N3/c1-2-3-8-18-13-7-9-20(19-13)12-6-4-5-11(10-12)14(15,16)17/h4-6,10H,2-3,7-9H2,1H3,(H,18,19)
InChI Key:
ZTPACDFQRFNJPJ-UHFFFAOYSA-N
SMILES:
CCCCNC1=NN(CC1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.145g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.314g/mol
Monoisotopic Mass:
285.145g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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