HC Yellow 5

C8H11N3O3CAS 56932-44-6197.19 g/mol

Open in Covalent MOL file
H2NN+OO−NHHO
AlcoholNitroPrimary amineSecondary amine

Properties

Molecular formula
C8H11N3O3
Molar mass
197.19 g/mol
Exact mass
197.0800 Da
Melting point
133 °C
logP
0.58Crippen estimate
Polar surface area
101.4 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 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
56932-44-6
SMILES
Nc1cc([N+](=O)[O-])ccc1NCCO
InChIKey
OWMQBFHMJVSJSA-UHFFFAOYSA-N
InChI
InChI=1S/C8H11N3O3/c9-7-5-6(11(13)14)1-2-8(7)10-3-4-12/h1-2,5,10,12H,3-4,9H2

Weigh it out

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

Names and synonyms

9 names
  • Ethanol, 2-[(2-amino-4-nitrophenyl)amino]-
  • Ethanol, 2-(2-amino-4-nitroanilino)-
  • 2-[(2-Amino-4-nitrophenyl)amino]ethanol
  • HC yellow no. 5
  • N1-(2-Hydroxyethyl)-4-nitro-o-phenylenediamine
  • Yellow no. 5
  • 1-(2′-Hydroxy-ethyl)amino-2-amino-4-nitro-benzene
  • 2-[(2-Amino-4-nitrophenyl)amino]ethan-1-ol
  • 2-(2-Amino-4-nitroanilino)ethanol

Work with HC Yellow 5

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]ethanol1945-92-271 % similar HC Yellow 459820-43-863 % similar N1-Methyl-4-nitro-O-phenyldiamin41939-61-160 % similar 2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]84041-77-056 % similar 4-[(2-Hydroxyethyl)amino]-3-nitrophenol65235-31-654 % similar 4-Nitro-1,2-phenylenediamine99-56-954 % similar 5-Nitroindoline32692-19-653 % similar 2-[(4-Methyl-2-nitrophenyl)amino]ethanol100418-33-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

HC Red 724905-87-1 N-Acetyl-L-histidine2497-02-1 HC Red 32871-01-4 Phenylguanidine bicarbonate6685-76-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook