N,N-Bis(2-hydroxyethyl)-p-phenylenediamine sulfate

C₁₀H₁₈N₂O₆SCAS 54381-16-7294.32 g/mol

Open in Covalent MOL file

Alcohol Primary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₈N₂O₆S
Molar mass: 294.32 g/mol
Exact mass: 294.0886 Da
logP: -0.59Crippen estimate
Polar surface area: 144.3 Å²
H-bond donors / acceptors: 5 / 6
Rotatable bonds: 5

Hazards

Danger

H301 Toxic if swallowed91.1% of notifiers
H311 Toxic in contact with skin12.9% of notifiers
H315 Causes skin irritation54% of notifiers
H317 May cause an allergic skin reaction97.6% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled12.9% of notifiers
H400 Very toxic to aquatic life12.9% of notifiers
H410 Very toxic to aquatic life with long lasting effects10.5% of notifiers
H411 Toxic to aquatic life with long lasting effects12.1% of notifiers

Aggregated from 124 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

54381-16-7

SMILES

Nc1ccc(N(CCO)CCO)cc1.O=S(=O)(O)O

InChIKey

KMCFMEHSEWDYKG-UHFFFAOYSA-N

InChI

InChI=1S/C10H16N2O2.H2O4S/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14;1-5(2,3)4/h1-4,13-14H,5-8,11H2;(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

7 names

Ethanol, 2,2′-[(4-aminophenyl)imino]bis-, sulfate (1:1) (salt)
4-Amino-N,N-di(β-hydroxyethyl)aniline sulfate
N,N-Bis(hydroxyethyl)-p-phenylenediamine sulfate
N,N-Bis(β-hydroxyethyl)-p-phenylenediamine monosulfate
2,2′-[(4-Aminophenyl)imino]bisethanol sulfate
Ro 371
N,N-Bis(2-hydroxy)-p-phenylenediamine sulfate

Work with N,N-Bis(2-hydroxyethyl)-p-phenylenediamine sulfate

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

N-Ethyl-N-(2-hydroxyethyl)-p-phenylenediamine sulfate4327-84-881 % similar Diethyl-p-phenylenediamine sulfate6283-63-265 % similar Disperse black 912222-69-462 % similar 1,4-Benzenediamine sulfate16245-77-558 % similar N,N-Dimethyl-p-phenylenediamine sulfate536-47-057 % similar N,N-Dimethyl-p-phenylenediamine sulfate6219-73-457 % similar 4-(4-Aminophenyl)thiomorpholine 1,1-dioxide105297-10-754 % similar Color developing agent 425646-77-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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