Phenol, 2-amino-, sulfate (2:1)

C6H9NO5SCAS 67845-79-8207.20 g/mol

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H2NHOOSOOHHO
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
67845-79-8
SMILES
Nc1ccccc1O.O=S(=O)(O)O
InChIKey
BNOCVKCSBKRYHN-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO.H2O4S/c7-5-3-1-2-4-6(5)8;1-5(2,3)4/h1-4,8H,7H2;(H2,1,2,3,4)

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Names and synonyms

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

Work with Phenol, 2-amino-, sulfate (2:1)

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.

2-Aminophenol95-55-6Free base o-Aminophenol hydrochloride51-19-4Salt

Similar compounds

1,2-Phenylenediamine sulfate74710-09-173 % similar Phenol, 2,4-diamino-, sulfate (1:?)74283-34-461 % similar Aniline sulfate542-16-553 % similar 1,4-Benzenediamine sulfate16245-77-548 % similar 1,3-Phenylenediamine sulfate541-70-847 % similar Phenylhydrazine sulfate52033-74-645 % similar Orthanilic acid88-21-145 % similar 2,3-Diaminophenol59649-56-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

p-Aminophenol sulfate63084-98-0

Elsewhere

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