2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]

C₁₀H₁₅N₃O₄CAS 84041-77-0241.25 g/mol

Open in Covalent MOL file

Alcohol Nitro Secondary amine

Properties

Molecular formula: C₁₀H₁₅N₃O₄
Molar mass: 241.25 g/mol
Exact mass: 241.1063 Da
logP: 0.40Crippen estimate
Polar surface area: 107.7 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 7

Hazards

Warning

H315 Causes skin irritation11.1% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation11.1% of notifiers

Aggregated from 36 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

84041-77-0

SMILES

O=[N+]([O-])c1cc(NCCO)ccc1NCCO

InChIKey

HWQZRURILVPDGN-UHFFFAOYSA-N

InChI

InChI=1S/C10H15N3O4/c14-5-3-11-8-1-2-9(12-4-6-15)10(7-8)13(16)17/h1-2,7,11-12,14-15H,3-6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Ethanol, 2,2′-[(2-nitro-1,4-phenylene)diimino]bis-
HC Violet BS
Velsol violet BS
Covarine purple W 5121
Violet 1.4D
Jarocol violet 1.4D
2,2′-((2-Nitro-1,4-phenylene)bis(azanediyl))diethanol
2-[4-(2-Hydroxyethylamino)-3-nitroanilino]ethanol
N,N'-Bis(2-hydroxyethyl)-2-nitro-p-phenylenediamine

Work with 2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-[(2,4-Dinitrophenyl)amino]ethanol1945-92-274 % similar 4-[(2-Hydroxyethyl)amino]-3-nitrophenol65235-31-673 % similar 2-[(4-Methyl-2-nitrophenyl)amino]ethanol100418-33-571 % similar HC Red 724905-87-171 % similar HC Red 32871-01-471 % similar HC Yellow 24926-55-067 % similar HC Blue 233229-34-466 % similar 4-Hydroxypropylamino-3-nitrophenol92952-81-361 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(((1,1-Dimethylethoxy)carbonyl)amino)-1-methyl-1H-imidazole-2-carboxylic acid128293-64-1 5-Methyl-2'-deoxycytidine838-07-3

Elsewhere

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