HC Yellow 4

C₁₀H₁₄N₂O₅CAS 59820-43-8242.23 g/mol

Open in Covalent MOL file

Alcohol Ether Nitro Secondary amine

Properties

Molecular formula: C₁₀H₁₄N₂O₅
Molar mass: 242.23 g/mol
Exact mass: 242.0903 Da
Water solubility: < 100 mg/L (20.5 °C)
logP: 0.37Crippen estimate
Polar surface area: 104.9 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed46.7% of notifiers
H315 Causes skin irritation53.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation53.3% of notifiers

Aggregated from 15 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

59820-43-8

SMILES

O=[N+]([O-])c1ccc(NCCO)c(OCCO)c1

InChIKey

PNENOUKIPPERMY-UHFFFAOYSA-N

InChI

InChI=1S/C10H14N2O5/c13-4-3-11-9-2-1-8(12(15)16)7-10(9)17-6-5-14/h1-2,7,11,13-14H,3-6H2

Weigh it out

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Names and synonyms

6 names

Ethanol, 2-[[2-(2-hydroxyethoxy)-4-nitrophenyl]amino]-
2-[[2-(2-Hydroxyethoxy)-4-nitrophenyl]amino]ethanol
2-[3-Nitro-6-(β-hydroxyethylamino)phenoxy]ethanol
HC yellow no. 4
Colorex HCY 4
2-[2-(2-Hydroxyethoxy)-4-nitroanilino]ethanol

Work with HC Yellow 4

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]ethanol1945-92-266 % similar HC Yellow 556932-44-663 % similar 2-(4-Nitrophenoxy)ethanol16365-27-855 % similar 2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-753 % similar 2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]84041-77-052 % similar 4-[(2-Hydroxyethyl)amino]-3-nitrophenol65235-31-651 % similar 2-[(4-Methyl-2-nitrophenyl)amino]ethanol100418-33-550 % similar HC Red 32871-01-450 % similar

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

Same formula

Telbivudine3424-98-4 Thymidine50-89-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook