1,2-Phenylenediamine sulfate

C₆H₁₀N₂O₄SCAS 74710-09-1206.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀N₂O₄S
Molar mass: 206.22 g/mol
Exact mass: 206.0361 Da
logP: 0.20Crippen estimate
Polar surface area: 126.6 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

74710-09-1

SMILES

C1=CC=C(C(=C1)N)N.OS(=O)(=O)O

InChIKey

URGXGBOBXYFSAF-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2.H2O4S/c7-5-3-1-2-4-6(5)8;1-5(2,3)4/h1-4H,7-8H2;(H2,1,2,3,4)

Weigh it out

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

Work with 1,2-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

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.

O-Phenylenediamine95-54-5Free base

Similar compounds

Phenol, 2-amino-, sulfate (2:1)67845-79-873 % similar Aniline sulfate542-16-564 % similar Orthanilic acid88-21-154 % similar 1,4-Benzenediamine, N1-phenyl-, sulfate (2:1)4698-29-750 % similar Phenol, 2,4-diamino-, sulfate (1:?)74283-34-450 % similar 2,5-Diaminotoluene sulfate615-50-948 % similar 2-Chloro-1,4-diaminobenzene monosulfate61702-44-148 % similar C.I. Oxidation base 13A6219-71-248 % similar

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

Same formula

1,4-Benzenediamine sulfate16245-77-5 Methyl N-[[(methoxycarbonyl)amino](methylthio)methylene]carbamate34840-23-8 Phenylhydrazine sulfate52033-74-6 1,3-Phenylenediamine sulfate541-70-8

Elsewhere

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