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1432036-19-5 | 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propan-1-amine hydrochloride
CAS No: 1432036-19-5 Catalog No: AG01FK7T MDL No:
Product Description
Catalog Number:
AG01FK7T
Chemical Name:
3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propan-1-amine hydrochloride
CAS Number:
1432036-19-5
Molecular Formula:
C8H13ClF3N3
Molecular Weight:
243.6571
IUPAC Name:
3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine;hydrochloride
InChI:
InChI=1S/C8H12F3N3.ClH/c1-6-5-7(8(9,10)11)13-14(6)4-2-3-12;/h5H,2-4,12H2,1H3;1H
InChI Key:
SQFWUAQLENDAID-UHFFFAOYSA-N
SMILES:
NCCCn1nc(cc1C)C(F)(F)F.Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.658g/mol
Monoisotopic Mass:
243.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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