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10114-58-6 | 1,3-Benzenediamine, 4,4'-[1,3-phenylenebis(2,1-diazenediyl)]bis-, hydrochloride (1:2)
CAS No: 10114-58-6 Catalog No: AG0003UM MDL No:MFCD00012977
Product Description
Catalog Number:
AG0003UM
Chemical Name:
1,3-Benzenediamine, 4,4'-[1,3-phenylenebis(2,1-diazenediyl)]bis-, hydrochloride (1:2)
CAS Number:
10114-58-6
Molecular Formula:
C18H20Cl2N8
Molecular Weight:
419.3110
MDL Number:
MFCD00012977
IUPAC Name:
4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine;dihydrochloride
InChI:
InChI=1S/C18H18N8.2ClH/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22;;/h1-10H,19-22H2;2*1H
InChI Key:
MCZVRBLCRZWFJH-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N.Cl.Cl
EC Number:
233-314-3
UNII:
14MUB626S2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.119g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
419.314g/mol
Monoisotopic Mass:
418.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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