Home Other Building Blocks N-(3-TRIETHYLAMMONIUMPROPYL)-4-(4-(DIBUTYLAMINO)STYRYL)PYRIDINIUM DIBROMIDE

N-(3-TRIETHYLAMMONIUMPROPYL)-4-(4-(DIBUTYLAMINO)STYRYL)PYRIDINIUM DIBROMIDE

CAS No.:
149838-22-2
Catalog Number:
AG00APCH
Molecular Formula:
C30H49Br2N3
Molecular Weight:
611.5382
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Purity
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Location
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Product Description
Catalog Number:
AG00APCH
Chemical Name:
N-(3-TRIETHYLAMMONIUMPROPYL)-4-(4-(DIBUTYLAMINO)STYRYL)PYRIDINIUM DIBROMIDE
CAS Number:
149838-22-2
Molecular Formula:
C30H49Br2N3
Molecular Weight:
611.5382
MDL Number:
MFCD00467815
IUPAC Name:
3-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium;dibromide
InChI:
InChI=1S/C30H49N3.2BrH/c1-6-11-23-32(24-12-7-2)30-18-16-28(17-19-30)14-15-29-20-25-31(26-21-29)22-13-27-33(8-3,9-4)10-5;;/h14-21,25-26H,6-13,22-24,27H2,1-5H3;2*1H/q+2;;/p-2
InChI Key:
VZUVCAGXYLMFEC-UHFFFAOYSA-L
SMILES:
CCCCN(c1ccc(cc1)C=Cc1cc[n+](cc1)CCC[N+](CC)(CC)CC)CCCC.[Br-].[Br-]
UNII:
83IGZ86I9D
Properties
Complexity:
480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
611.227g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
611.551g/mol
Monoisotopic Mass:
609.229g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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