N,N-Dimethyl-p-phenylenediamine dihydrochloride

C₈H₁₄Cl₂N₂CAS 536-46-9209.11 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₈H₁₄Cl₂N₂
Molar mass: 209.11 g/mol
Exact mass: 208.0534 Da
logP: 2.18Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H300 Fatal if swallowed91.8% of notifiers
H311+H331 Toxic in contact with skin or if inhaled.79.6% of notifiers
H311 Toxic in contact with skin95.9% of notifiers
H315 Causes skin irritation10.2% of notifiers
H319 Causes serious eye irritation95.9% of notifiers
H330 Fatal if inhaled12.2% of notifiers
H331 Toxic if inhaled85.7% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

536-46-9

SMILES

CN(C)c1ccc(N)cc1.Cl.Cl

InChIKey

IAEDWDXMFDKWFU-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N2.2ClH/c1-10(2)8-5-3-7(9)4-6-8;;/h3-6H,9H2,1-2H3;2*1H

Weigh it out

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

Names and synonyms

9 names

1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:2)
p-Phenylenediamine, N,N-dimethyl-, dihydrochloride
1,4-Benzenediamine, N,N-dimethyl-, dihydrochloride
p-Dimethylaminoaniline dihydrochloride
4-(Dimethylamino)aniline dihydrochloride
N,N-Dimethyl-p-phenylenediammonium chloride
N,N-Dimethyl-1,4-phenylenediamine dihydrochloride
(4-Dimethylaminophenyl)amine dihydrochloride
N,N-Dimethylbenzene-1,4-diamine dihydrochloride

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

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 sulfate6219-73-4Salt N,N-Dimethyl-p-phenylenediamine oxalate24631-29-6Salt N,N-Dimethyl-p-phenylenediamine sulfate536-47-0Salt p-Amino-N,N-dimethylaniline monohydrochloride2052-46-2Salt N1,N1-Dimethyl-1,4-benzenediamine ethanedioate (2:1)62778-12-5Salt

Similar compounds

Tetramethyl-p-phenylenediamine dihydrochloride637-01-471 % similar 4-((4-Aminophenyl)azo)-N,N-dimethylaniline539-17-367 % similar Wurster's blue100-22-157 % similar 1,4-Diaminobenzene dihydrochloride624-18-057 % similar N,N-Diethyl-p-phenylenediamine hydrochloride2198-58-555 % similar 4-(Aminomethyl)-N,N-dimethylaniline dihydrochloride34403-52-655 % similar 4-Chloroaniline hydrochloride20265-96-750 % similar Auramine O2465-27-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N,N-Dimethyl-m-phenylenediamine dihydrochloride3575-32-4 Betahistine dihydrochloride5579-84-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook