2,5-Diaminoanisole sulfate

C₇H₁₂N₂O₅SCAS 66671-82-7236.24 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₇H₁₂N₂O₅S
Molar mass: 236.24 g/mol
Exact mass: 236.0467 Da
logP: 0.21Crippen estimate
Polar surface area: 135.9 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 1

Identifiers

CAS number

66671-82-7

SMILES

COc1cc(N)ccc1N.O=S(=O)(O)O

InChIKey

HAGUXKMTUITVQW-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2O.H2O4S/c1-10-7-4-5(8)2-3-6(7)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

5 names

1,4-Benzenediamine, 2-methoxy-, sulfate (1:1)
2-Methoxy-1,4-benzenediamine sulfate
Methoxy-p-phenylenediamine sulfate
2-Methoxy-p-phenylenediamine sulfate
2-Methoxybenzene-1,4-diamine; sulfuric acid

Work with 2,5-Diaminoanisole 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

Similar compounds

1,3-Benzenediamine, 4-methoxy-, sulfate, hydrate (1:1:?)123333-56-271 % similar 2,5-Diaminotoluene sulfate615-50-962 % similar 2-Chloro-1,4-diaminobenzene monosulfate61702-44-158 % similar C.I. Oxidation base 13A6219-71-258 % similar 2,4-Diamino phenetole sulfate68015-98-557 % similar Phenol, 2,4-diamino-, sulfate (1:?)74283-34-455 % similar 5-Amino-2-methoxybenzenesulfonic acid6470-17-355 % similar Benzene-1,4-diamine; hydroxy hydrogen sulfite16245-77-553 % similar

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

Same formula

2,4-Diaminoanisole sulfate39156-41-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook