1,3-Diamino-4-(2-hydroxyethoxy)benzene sulfate

C₈H₁₄N₂O₆SCAS 70643-20-8266.27 g/mol

Open in Covalent MOL file

Alcohol Ether Primary amine

Properties

Molecular formula: C₈H₁₄N₂O₆S
Molar mass: 266.27 g/mol
Exact mass: 266.0573 Da
logP: -0.43Crippen estimate
Polar surface area: 156.1 Å²
H-bond donors / acceptors: 5 / 6
Rotatable bonds: 3

Identifiers

CAS number

70643-20-8

SMILES

Nc1ccc(OCCO)c(N)c1.O=S(=O)(O)O

InChIKey

UUHBEKCQQLDQNG-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N2O2.H2O4S/c9-6-1-2-8(7(10)5-6)12-4-3-11;1-5(2,3)4/h1-2,5,11H,3-4,9-10H2;(H2,1,2,3,4)

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

Names and synonyms

2 names

Ethanol, 2-(2,4-diaminophenoxy)-, sulfate (1:1)
Ethanol, 2-(2,4-diaminophenoxy)-, sulfate (1:1) (salt)

Work with 1,3-Diamino-4-(2-hydroxyethoxy)benzene 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

2,4-Diamino phenetole sulfate68015-98-573 % similar 2,4-Diaminophenoxyethanol dihydrochloride66422-95-572 % similar 2,4-Diaminoanisole sulfate39156-41-763 % similar 1,3-Benzenediamine, 4-methoxy-, sulfate, hydrate (1:1:?)123333-56-259 % similar 2-(2,5-Diaminophenyl)ethanol sulfate (1:1)93841-25-957 % similar 1,3-Bis(2,4-diaminophenoxy)propane81892-72-056 % similar Phenol, 2,4-diamino-, sulfate (1:?)74283-34-452 % similar 1,3-Bis(2,4-diaminophenoxy)propane tetrahydrochloride74918-21-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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