Home Other Building Blocks 3-[3-(trifluoromethyl)phenyl]butan-1-amine

3-[3-(trifluoromethyl)phenyl]butan-1-amine

CAS No.:
1225961-33-0
Catalog Number:
AG019TAD
Molecular Formula:
C11H14F3N
Molecular Weight:
217.2308
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Product Description
Catalog Number:
AG019TAD
Chemical Name:
3-[3-(trifluoromethyl)phenyl]butan-1-amine
CAS Number:
1225961-33-0
Molecular Formula:
C11H14F3N
Molecular Weight:
217.2308
MDL Number:
MFCD16083222
IUPAC Name:
3-[3-(trifluoromethyl)phenyl]butan-1-amine
InChI:
InChI=1S/C11H14F3N/c1-8(5-6-15)9-3-2-4-10(7-9)11(12,13)14/h2-4,7-8H,5-6,15H2,1H3
InChI Key:
KPBOWSYPTSEMCL-UHFFFAOYSA-N
SMILES:
NCCC(c1cccc(c1)C(F)(F)F)C
Properties
Complexity:
191  
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:
2.8  
Properties