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

C₆H₉NO₅SCAS 67845-79-8207.20 g/mol

Open in Covalent MOL file

Phenol Primary 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 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 0

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

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

Similar compounds

2-Aminophenol95-55-668 % similar o-Aminophenol hydrochloride51-19-461 % similar Phenol, 2,4-diamino-, sulfate (1:?)74283-34-461 % similar Aniline sulfate542-16-553 % similar Benzene-1,4-diamine; hydroxy hydrogen sulfite16245-77-548 % similar 1,3-Phenylenediamine sulfate541-70-847 % similar Phenylhydrazine sulfate52033-74-645 % similar Orthanilic acid88-21-145 % 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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