Benzene-1,4-diamine; hydroxy hydrogen sulfite

C₆H₁₀N₂O₄SCAS 16245-77-5206.22 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

16245-77-5

SMILES

Nc1ccc(N)cc1.O=S(=O)(O)O

InChIKey

UFPKLWVNKAMAPE-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

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

Work with Benzene-1,4-diamine; hydroxy hydrogen sulfite

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

p-Aminophenol sulfate63084-98-078 % similar Aniline sulfate542-16-577 % similar 4,4′-Diaminodiphenylamine sulfate53760-27-375 % similar Dimethyl-p-phenylenediamine sulfate536-47-067 % similar N,N-Dimethyl-P-phenylenediamine sulfate6219-73-467 % similar 1,4-Benzenediamine, N1-phenyl-, sulfate (2:1)4698-29-764 % similar Diethyl-P-phenylenediamine sulfate6283-63-260 % similar Phenol, 2,4-diamino-, sulfate (1:?)74283-34-459 % similar

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

Same formula

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

Elsewhere

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