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

C₁₉H₂₅ClN₅O₂⁺CAS 14097-03-1390.89 g/mol

Open in Covalent MOL file

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

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H318 Causes serious eye damage61.1% of notifiers
H412 Harmful to aquatic life with long lasting effects61.1% of notifiers

Aggregated from 18 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P501

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

3 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-
Basic Red 18 ion

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

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Similar compounds

2-[2-[4-[(2-Cyanoethyl)ethylamino]phenyl]diazenyl]-5-nitrobenzonitrile16889-10-458 % similar Disperse red 12872-52-857 % similar Disperse orange 2531482-56-155 % similar N-(2-Chloroethyl)-4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylbenzenamine63741-10-653 % similar 3-[[4-[2-(2,6-Dibromo-4-nitrophenyl)diazenyl]phenyl]ethylamino]propanenitrile12270-45-050 % similar N,N-Diethyl-4-nitrobenzenamine2216-15-147 % similar 3-[[2-(Acetyloxy)ethyl][4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]amino]propanenitrile12223-23-345 % similar 1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline57883-28-042 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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