2,5-Diaminoanisole sulfate

C7H12N2O5SCAS 66671-82-7236.24 g/mol

Open in Covalent MOL file
ONH2H2NOSOOHHO
EtherPrimary 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 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

6 names
  • 1,4-Benzenediamine, 2-methoxy-, sulfate
  • 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-p-phenylenediamine sulfate61702-44-158 % similar 2-Chloro-p-phenylenediamine sulfate6219-71-258 % 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 1,4-Benzenediamine sulfate16245-77-553 % 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