2,4-Diaminoanisole sulfate

C₇H₁₂N₂O₅SCAS 39156-41-7236.24 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
Water solubility: 10–50 g/L (18.5 °C)
logP: 0.21Crippen estimate
Polar surface area: 135.9 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H341 Suspected of causing genetic defectsGerm cell mutagenicity
H350 May cause cancerCarcinogenicity
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-200-00-0[2]), via PubChem.

Precautionary statements

P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, P501

Identifiers

CAS number

39156-41-7

SMILES

COc1ccc(N)cc1N.O=S(=O)(O)O

InChIKey

FDJQHYWUHGBBTO-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2O.H2O4S/c1-10-7-3-2-5(8)4-6(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

19 names · show all

1,3-Benzenediamine, 4-methoxy-, sulfate (1:1)
4-Methoxy-m-phenylenediamine sulfate
C.I. 76051
BASF Ursol SLA
C.I. Oxidation base 12A
Durafur brown MN
Fouramine BA
Fourrine 76
Fourrine SLA
Furro SLA
Nako TSA
Pelagol BA
Pelagol grey SLA
Pelagol SLA
Renal SLA
Ursol SLA
Zoba SLE
4-Methoxy-1,3-benzenediamine sulfate
4-Methoxy-1,3-phenylenediamine sulfate

Work with 2,4-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

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.

1,3-Benzenediamine, 4-methoxy-, sulfate, hydrate (1:1:?)123333-56-2Hydrate 2,4-Diaminoanisole615-05-4Free base 2,4-Diaminoanisole dihydrochloride614-94-8Salt

Similar compounds

2,4-Diamino phenetole sulfate68015-98-569 % similar 1,3-Diamino-4-(2-hydroxyethoxy)benzene sulfate70643-20-863 % similar Phenol, 2,4-diamino-, sulfate (1:?)74283-34-459 % similar 5-Amino-2-methoxybenzenesulfonic acid6470-17-359 % similar 2,5-Diaminotoluene sulfate615-50-958 % similar 2-Amino-4-((2-hydroxyethyl)amino)anisole sulfate83763-48-858 % similar 2-Aminoanisole-4-sulfonic acid98-42-056 % similar 2-Chloro-p-phenylenediamine sulfate61702-44-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Diaminoanisole sulfate66671-82-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook