p-Aminophenol sulfate

C6H9NO5SCAS 63084-98-0207.20 g/mol

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H2NOHOSOOHHO
PhenolPrimary amine

Properties

Molecular formula
C6H9NO5S
Molar mass
207.20 g/mol
Exact mass
207.0201 Da
logP
0.32Crippen estimate
Polar surface area
120.8 Ų
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.

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Identifiers

CAS number
63084-98-0
SMILES
Nc1ccc(O)cc1.O=S(=O)(O)O
InChIKey
QTDCIMUWVJXQBD-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO.H2O4S/c7-5-1-3-6(8)4-2-5;1-5(2,3)4/h1-4,8H,7H2;(H2,1,2,3,4)

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Names and synonyms

4 names
  • Phenol, 4-amino-, sulfate (2:1)
  • Phenol, 4-amino-, sulfate (2:1) (salt)
  • p-Aminophenol sulfate (salt) (2:1)
  • 4-Aminophenol sulfate

Work with p-Aminophenol 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.

4-Aminophenol123-30-8Free base 4-Aminophenol hydrochloride51-78-5Salt

Similar compounds

1,4-Benzenediamine sulfate16245-77-578 % similar Aniline sulfate542-16-563 % similar 4,4'-Diaminodiphenylamine sulfate53760-27-362 % similar N,N-Dimethyl-p-phenylenediamine sulfate536-47-056 % similar N,N-Dimethyl-p-phenylenediamine sulfate6219-73-456 % similar 1,3-Phenylenediamine sulfate541-70-855 % similar 1,4-Benzenediamine, N1-phenyl-, sulfate (2:1)4698-29-755 % similar Phenol, 2,4-diamino-, sulfate (1:?)74283-34-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenol, 2-amino-, sulfate (2:1)67845-79-8

Elsewhere

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