4-[(2-Hydroxyethyl)amino]-3-nitrophenol

C₈H₁₀N₂O₄CAS 65235-31-6198.18 g/mol

Open in Covalent MOL file

Alcohol Nitro Phenol Secondary amine

Properties

Molecular formula: C₈H₁₀N₂O₄
Molar mass: 198.18 g/mol
Exact mass: 198.0641 Da
logP: 0.70Crippen estimate
Polar surface area: 95.6 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed33.8% of notifiers
H315 Causes skin irritation96.1% of notifiers
H317 May cause an allergic skin reaction83.1% of notifiers
H319 Causes serious eye irritation45.5% of notifiers
H335 May cause respiratory irritation15.6% of notifiers
H411 Toxic to aquatic life with long lasting effects80.5% of notifiers

Aggregated from 77 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

65235-31-6

SMILES

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

InChIKey

UXKLYBMQAHYULT-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N2O4/c11-4-3-9-7-2-1-6(12)5-8(7)10(13)14/h1-2,5,9,11-12H,3-4H2

Weigh it out

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

Names and synonyms

7 names

Phenol, 4-[(2-hydroxyethyl)amino]-3-nitro-
3-Nitro-4-N-(β-hydroxyethyl)aminophenol
3-Nitro-4-β-hydroxyethylaminophenol
HC Red 54
HC Red B 54
Jarocol NHEAP
HC red no. 54

Work with 4-[(2-Hydroxyethyl)amino]-3-nitrophenol

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

4-Hydroxypropylamino-3-nitrophenol92952-81-385 % similar 2-[(2,4-Dinitrophenyl)amino]ethanol1945-92-273 % similar 2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]84041-77-073 % similar 2-[(4-Methyl-2-nitrophenyl)amino]ethanol100418-33-569 % similar HC Red 32871-01-469 % similar HC Yellow 24926-55-065 % similar HC Blue 233229-34-464 % similar HC Blue 12132885-85-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Diacetyl-2,5-piperazinedione3027-05-2 Mimosine500-44-7 2-Propyl-1H-imidazole-4,5-dicarboxylic acid58954-23-7 2,5-Dimethoxy-4-nitrobenzenamine6313-37-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook