N,N-Dimethyl-p-phenylenediamine sulfate

C₈H₁₄N₂O₄SCAS 536-47-0234.27 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₈H₁₄N₂O₄S
Molar mass: 234.27 g/mol
Exact mass: 234.0674 Da
logP: 0.68Crippen estimate
Polar surface area: 103.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin91.3% of notifiers
H315 Causes skin irritation95.7% of notifiers
H319 Causes serious eye irritation95.7% of notifiers
H331 Toxic if inhaled100% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

536-47-0

SMILES

CN(C)c1ccc(N)cc1.O=S(=O)(O)O

InChIKey

GLUKPDKNLKRLHX-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N2.H2O4S/c1-10(2)8-5-3-7(9)4-6-8;1-5(2,3)4/h3-6H,9H2,1-2H3;(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, N1,N1-dimethyl-, sulfate (1:1)
p-Phenylenediamine, N,N-dimethyl-, sulfate (1:1)
1,4-Benzenediamine, N,N-dimethyl-, sulfate (1:1)
Dimethyl-p-phenylenediamine sulfate
N,N-Dimethyl-1,4-phenylenediamine sulfate

Work with N,N-Dimethyl-p-phenylenediamine 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.

Dimethyl-4-phenylenediamine99-98-9Free base N,N-Dimethyl-p-phenylenediamine oxalate24631-29-6Salt p-Amino-N,N-dimethylaniline monohydrochloride2052-46-2Salt N,N-Dimethyl-p-phenylenediamine dihydrochloride536-46-9Salt N1,N1-Dimethyl-1,4-benzenediamine ethanedioate (2:1)62778-12-5Salt N,N-Dimethyl-p-phenylenediamine sulfate6219-73-4

Similar compounds

1,4-Benzenediamine sulfate16245-77-567 % similar N,N-Dimethylanilinium hydrogen sulfate58888-49-665 % similar Diethyl-p-phenylenediamine sulfate6283-63-263 % similar N,N-Bis(2-hydroxyethyl)-p-phenylenediamine sulfate54381-16-757 % similar p-Aminophenol sulfate63084-98-056 % similar Aniline sulfate542-16-555 % similar 4,4'-Diaminodiphenylamine sulfate53760-27-355 % similar 4-((4-Aminophenyl)azo)-N,N-dimethylaniline539-17-355 % similar

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

Elsewhere

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