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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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)

Weigh it out

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

Names and synonyms

3 names

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

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,4-Diaminophenoxyethanol70643-19-5Free base 2,4-Diaminophenoxyethanol dihydrochloride66422-95-5Salt

Similar compounds

2,4-Diamino phenetole sulfate68015-98-573 % similar 2,4-Diaminoanisole sulfate39156-41-763 % similar 1,3-Benzenediamine, 4-methoxy-, sulfate, hydrate (1:1:?)123333-56-259 % similar Hydroxyethyl-p-phenylenediamine sulfate93841-25-957 % 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 2,5-Diaminoanisole sulfate66671-82-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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