chempirical

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

C10H18N2O6SCAS 54381-16-7294.32 g/mol

Open in Covalent MOL file
H2NNOHOHOSOHOOH
AlcoholPrimary amineTertiary 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 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
5

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)

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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 Benzene-1,4-diamine; hydroxy hydrogen sulfite16245-77-558 % similar 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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