1,2-Benzenediamine, 4-ethoxy-, sulfate (1:1)

C₈H₁₄N₂O₅SCAS 85137-09-3250.27 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₈H₁₄N₂O₅S
Molar mass: 250.27 g/mol
Exact mass: 250.0623 Da
logP: 0.60Crippen estimate
Polar surface area: 135.9 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 2

Identifiers

CAS number

85137-09-3

SMILES

CCOc1ccc(N)c(N)c1.O=S(=O)(O)O

InChIKey

AOWLQOMCVRWFEA-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N2O.H2O4S/c1-2-11-6-3-4-7(9)8(10)5-6;1-5(2,3)4/h3-5H,2,9-10H2,1H3;(H2,1,2,3,4)

Weigh it out

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

Work with 1,2-Benzenediamine, 4-ethoxy-, sulfate (1:1)

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

4-Propoxy-1,2-benzenediamine56190-17-155 % similar 2,5-Diethoxyaniline94-85-955 % similar 4-Ethoxy-2-nitroaniline616-86-449 % similar 2,5-Diaminoanisole sulfate66671-82-745 % similar 2,5-Diaminotoluene sulfate615-50-944 % similar 1,3-Diamino-4-(2-hydroxyethoxy)benzene sulfate70643-20-844 % similar 4-Methoxy-1,2-phenylenediamine102-51-243 % similar 2,4-Diaminoanisole sulfate39156-41-742 % similar

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

Same formula

2,4-Diamino phenetole sulfate68015-98-5 2-(2,5-Diaminophenyl)ethanol sulfate (1:1)93841-25-9

Elsewhere

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