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817164-24-2 | Benzenepropanamine,4-methyl-a-(trifluoromethyl)-
CAS No: 817164-24-2 Catalog No: AG005190 MDL No:
Product Description
Catalog Number:
AG005190
Chemical Name:
Benzenepropanamine,4-methyl-a-(trifluoromethyl)-
CAS Number:
817164-24-2
Molecular Formula:
C11H14F3N
Molecular Weight:
217.2308
IUPAC Name:
1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine
InChI:
InChI=1S/C11H14F3N/c1-8-2-4-9(5-3-8)6-7-10(15)11(12,13)14/h2-5,10H,6-7,15H2,1H3
InChI Key:
UAPPNNNMEOPBPN-UHFFFAOYSA-N
SMILES:
NC(C(F)(F)F)CCc1ccc(cc1)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.235g/mol
Monoisotopic Mass:
217.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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