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3-[[4-[(6-chloro-1,3-dimethyl-2H-benzimidazol-1-ium-4-yl)azo]phenyl]-ethyl-amino]propanenitrile acetate
[CAS# 96446-15-0]

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CAS#: 96446-15-0
Product: 3-[[4-[(6-chloro-1,3-dimethyl-2H-benzimidazol-1-ium-4-yl)azo]phenyl]-ethyl-amino]propanenitrile acetate
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Identification
Name 3-[[4-[(6-chloro-1,3-dimethyl-2H-benzimidazol-1-ium-4-yl)azo]phenyl]-ethyl-amino]propanenitrile acetate
Synonyms 6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzimidazolium acetate
Molecular Structure CAS#: 96446-15-0, 3-[[4-[(6-chloro-1,3-dimethyl-2H-benzimidazol-1-ium-4-yl)azo]phenyl]-ethyl-amino]propanenitrile acetate
Molecular Formula C22H27ClN6O2
Molecular Weight 442.94
CAS Registry Number 96446-15-0
EINECS 306-142-2
SMILES [O-]C(C)=O.CCN(CCC#N)c1ccc(cc1)N=Nc2cc(Cl)cc3c2N(C)C[NH+]3C
InChI 1S/C20H23ClN6.C2H4O2/c1-4-27(11-5-10-22)17-8-6-16(7-9-17)23-24-18-12-15(21)13-19-20(18)26(3)14-25(19)2;1-2(3)4/h6-9,12-13H,4-5,11,14H2,1-3H3;1H3,(H,3,4)
InChIKey AXTZLCSSRXDRNO-UHFFFAOYSA-N
Properties
Boiling point 696.8°C at 760 mmHg (Cal.)
Flash point 375.2°C (Cal.)
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List of Reports Available for 3-[[4-[(6-chloro-1,3-dimethyl-2H-benzimidazol-1-ium-4-yl)azo]phenyl]-ethyl-amino]propanenitrile acetate
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