2,4-Diamino phenetole sulfate

C₈H₁₄N₂O₅SCAS 68015-98-5250.27 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

68015-98-5

SMILES

CCOc1ccc(N)cc1N.O=S(=O)(O)O

InChIKey

WRYXZLYZWDZVKS-UHFFFAOYSA-N

InChI

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

Names and synonyms

2 names

1,3-Benzenediamine, 4-ethoxy-, sulfate (1:1)
2,4-Diaminophenetole sulfate

Work with 2,4-Diamino phenetole 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

1,3-Diamino-4-(2-hydroxyethoxy)benzene sulfate70643-20-873 % similar 2,4-Diaminoanisole sulfate39156-41-769 % similar 1,3-Benzenediamine, 4-methoxy-, sulfate, hydrate (1:1:?)123333-56-264 % similar 2,5-Diaminoanisole sulfate66671-82-757 % similar 1,3-Bis(2,4-diaminophenoxy)propane81892-72-054 % similar Phenol, 2,4-diamino-, sulfate (1:?)74283-34-454 % similar 2,5-Diethoxyaniline94-85-953 % similar 2,5-Diaminotoluene sulfate615-50-952 % similar

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

Same formula

1,2-Benzenediamine, 4-ethoxy-, sulfate (1:1)85137-09-3 2-(2,5-Diaminophenyl)ethanol sulfate (1:1)93841-25-9

Elsewhere

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