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192704-06-6 | Pyridinium, 4-[2-(4-amino-1-naphthalenyl)diazenyl]-1-pentyl-, bromide (1:1)
CAS No: 192704-06-6 Catalog No: AG002G8D MDL No:
Product Description
Catalog Number:
AG002G8D
Chemical Name:
Pyridinium, 4-[2-(4-amino-1-naphthalenyl)diazenyl]-1-pentyl-, bromide (1:1)
CAS Number:
192704-06-6
Molecular Formula:
C20H23BrN4
Molecular Weight:
399.3274
IUPAC Name:
4-[(1-pentylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-amine;bromide
InChI:
InChI=1S/C20H22N4.BrH/c1-2-3-6-13-24-14-11-16(12-15-24)22-23-20-10-9-19(21)17-7-4-5-8-18(17)20;/h4-5,7-12,14-15,21H,2-3,6,13H2,1H3;1H
InChI Key:
SQHJOFMWXLXLSG-UHFFFAOYSA-N
SMILES:
CCCCC[n+]1ccc(cc1)N=Nc1ccc(c2c1cccc2)N.[Br-]
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.111g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.336g/mol
Monoisotopic Mass:
398.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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