1,3-Phenylenediamine sulfate

C₆H₁₀N₂O₄SCAS 541-70-8206.22 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

Identifiers

CAS number

541-70-8

SMILES

Nc1cccc(N)c1.O=S(=O)(O)O

InChIKey

LDXYDHGRKFMULJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2.H2O4S/c7-5-2-1-3-6(8)4-5;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.

Names and synonyms

2 names

1,3-Benzenediamine, sulfate (1:1)
m-Phenylenediamine, sulfate (1:1)

Work with 1,3-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

Similar compounds

Aniline sulfate542-16-572 % similar (3-Aminophenyl)boronic acid hemisulfate66472-86-468 % similar 2-Chloro-1,4-diaminobenzene monosulfate61702-44-159 % similar C.I. Oxidation base 13A6219-71-259 % similar M-Phenylenediamine108-45-259 % similar Metanilic acid121-47-157 % similar Phenol, 2,4-diamino-, sulfate (1:?)74283-34-456 % similar p-Aminophenol sulfate63084-98-055 % similar

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

Same formula

Benzene-1,4-diamine; hydroxy hydrogen sulfite16245-77-5 Methyl N-[[(methoxycarbonyl)amino](methylthio)methylene]carbamate34840-23-8 Phenylhydrazine sulfate52033-74-6

Elsewhere

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