5-Amino-2-methylphenol sulfate

C₇H₁₁NO₅SCAS 183293-62-1221.23 g/mol

Open in Covalent MOL file

Phenol Primary amine

Properties

Molecular formula: C₇H₁₁NO₅S
Molar mass: 221.23 g/mol
Exact mass: 221.0358 Da
logP: 0.63Crippen estimate
Polar surface area: 120.9 Å²
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. Search the SDS library

Identifiers

CAS number

183293-62-1

SMILES

CC1=C(C=C(C=C1)N)O.OS(=O)(=O)O

InChIKey

OOUDTDWQXPSATC-UHFFFAOYSA-N

InChI

InChI=1S/C7H9NO.H2O4S/c1-5-2-3-6(8)4-7(5)9;1-5(2,3)4/h2-4,9H,8H2,1H3;(H2,1,2,3,4)

Weigh it out

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

Work with 5-Amino-2-methylphenol 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.

5-Amino-2-methylphenol2835-95-2Free base 5-Amino-2-methylphenol2635-98-5Free base

Similar compounds

2,5-Diaminotoluene sulfate615-50-964 % similar Phenol, 2,4-diamino-, sulfate (1:?)74283-34-461 % similar Benzene-1,4-diamine; hydroxy hydrogen sulfite16245-77-555 % similar 5-Amino-2-hydroxytoluene2635-95-253 % similar 4-Amino-2-methylphenol2835-96-353 % similar 1,3-Phenylenediamine sulfate541-70-853 % similar 5-Amino-2-methylbenzenesulfonic acid118-88-753 % similar p-Aminophenol sulfate63084-98-051 % similar

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

Same formula

Metol55-55-0

Elsewhere

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