2-[[4-[2-(2-Chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-N,N,N-trimethylethanaminium

C₁₉H₂₅ClN₅O₂⁺CAS 14097-03-1390.89 g/mol

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Aryl halide Azo Nitro Quaternary ammonium Tertiary amine

Properties

Molecular formula: C₁₉H₂₅ClN₅O₂⁺
Molar mass: 390.89 g/mol
Exact mass: 390.1697 Da
logP: 5.20Crippen estimate
Polar surface area: 71.1 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 8

Identifiers

CAS number

14097-03-1

SMILES

CCN(CC[N+](C)(C)C)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)cc1

InChIKey

TZXATTMVGZDPHM-UHFFFAOYSA-N

InChI

InChI=1S/C19H25ClN5O2/c1-5-23(12-13-25(2,3)4)16-8-6-15(7-9-16)21-22-19-11-10-17(24(26)27)14-18(19)20/h6-11,14H,5,12-13H2,1-4H3/q+1

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Names and synonyms

2 names

Ethanaminium, 2-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-N,N,N-trimethyl-
Ethanaminium, 2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]-N,N,N-trimethyl-

Work with 2-[[4-[2-(2-Chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-N,N,N-trimethylethanaminium

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Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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