HC Blue 2

C₁₂H₁₉N₃O₅CAS 33229-34-4285.30 g/mol

Open in Covalent MOL file

Alcohol Nitro Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₉N₃O₅
Molar mass: 285.30 g/mol
Exact mass: 285.1325 Da
Melting point: 93–98 °C
Water solubility: < 1 g/L (23.9 °C)
logP: -0.21Crippen estimate
Polar surface area: 119.1 Å²
H-bond donors / acceptors: 4 / 7
Rotatable bonds: 9

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H317 May cause an allergic skin reaction40.5% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation49.1% of notifiers
H412 Harmful to aquatic life with long lasting effects18.1% of notifiers

Aggregated from 116 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

33229-34-4

SMILES

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

InChIKey

MIWUTEVJIISHCP-UHFFFAOYSA-N

InChI

InChI=1S/C12H19N3O5/c16-6-3-13-11-2-1-10(9-12(11)15(19)20)14(4-7-17)5-8-18/h1-2,9,13,16-18H,3-8H2

Weigh it out

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

Names and synonyms

13 names · show all

Ethanol, 2,2′-[[4-[(2-hydroxyethyl)amino]-3-nitrophenyl]imino]bis-
Ethanol, 2,2′-[[4-[(2-hydroxyethyl)amino]-3-nitrophenyl]imino]di-
2,2′-[[4-[(2-Hydroxyethyl)amino]-3-nitrophenyl]imino]bis[ethanol]
N1,N4,N4-Tris(2-hydroxyethyl)-2-nitro-p-phenylenediamine
N,N′,N′-Tris(2-hydroxyethyl)-2-nitro-p-phenylenediamine
N1,N4,N4-Tris(2′-hydroxyethyl)-2-nitro-p-phenylenediamine
HC blue no. 2
2,2′-[4-(2-Hydroxyethylamino)-3-nitrophenylimino]diethanol
Covarine blue W 6122
Colorex HCB 2
N,N,N′-Tris(2-hydroxyethyl)-3-nitrobenzene-1,4-diamine
2,2′-((4-((2-Hydroxyethyl)amino)-3-nitrophenyl)azanediyl)diethanol
2-[4-[Bis(2-hydroxyethyl)amino]-2-nitroanilino]ethanol

Work with HC Blue 2

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

HC Blue 12132885-85-979 % similar 2-[(2,4-Dinitrophenyl)amino]ethanol1945-92-266 % similar 2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]84041-77-066 % similar 4-[(2-Hydroxyethyl)amino]-3-nitrophenol65235-31-664 % similar 2-[(4-Methyl-2-nitrophenyl)amino]ethanol100418-33-563 % similar HC Red 32871-01-463 % similar HC Red 1394158-13-159 % similar HC Yellow 24926-55-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Glycylprolylhydroxyproline2239-67-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook