Home Halogens 5-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)pentan-1-amine 2,2,2-trifluoroacetate

5-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)pentan-1-amine 2,2,2-trifluoroacetate

CAS No.:
1956354-77-0
Catalog Number:
AG01DGNS
Molecular Formula:
C19H22BrF3N2O3
Molecular Weight:
463.2888
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Product Description
Catalog Number:
AG01DGNS
Chemical Name:
5-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)pentan-1-amine 2,2,2-trifluoroacetate
CAS Number:
1956354-77-0
Molecular Formula:
C19H22BrF3N2O3
Molecular Weight:
463.2888
MDL Number:
MFCD28991791
IUPAC Name:
5-(2-bromophenoxy)-N-(pyridin-2-ylmethyl)pentan-1-amine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C17H21BrN2O.C2HF3O2/c18-16-9-2-3-10-17(16)21-13-7-1-5-11-19-14-15-8-4-6-12-20-15;3-2(4,5)1(6)7/h2-4,6,8-10,12,19H,1,5,7,11,13-14H2;(H,6,7)
InChI Key:
OZTUJYNINLNVPP-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.Brc1ccccc1OCCCCCNCc1ccccn1
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.077g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
463.295g/mol
Monoisotopic Mass:
462.077g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties