p-Amino-N,N-dimethylaniline monohydrochloride

C₈H₁₃ClN₂CAS 2052-46-2172.66 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₈H₁₃ClN₂
Molar mass: 172.66 g/mol
Exact mass: 172.0767 Da
Melting point: 219 °C (decomposes)
logP: 1.76Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H300 Fatal if swallowed97.6% of notifiers
H311 Toxic in contact with skin97.6% of notifiers
H331 Toxic if inhaled97.6% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P321, P330, P342+P316, P361+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

2052-46-2

SMILES

CN(C)c1ccc(N)cc1.Cl

InChIKey

KTWNIUBGGFBRKH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)
p-Phenylenediamine, N,N-dimethyl-, monohydrochloride
1,4-Benzenediamine, N,N-dimethyl-, monohydrochloride
N,N-Dimethyl-p-phenylenediamine monohydrochloride
N,N-Dimethyl-1,4-benzenediamine hydrochloride
N,N-Dimethyl-1,4-phenylenediamine monohydrochloride

Work with p-Amino-N,N-dimethylaniline monohydrochloride

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 dihydrochloride536-46-9Salt N,N-Dimethyl-p-phenylenediamine sulfate536-47-0Salt 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 N,N-Dimethyl-m-phenylenediamine dihydrochloride3575-32-459 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Ethylphenyl)hydrazine hydrochloride19398-06-2 4-Ethylphenylhydrazine hydrochloride53661-18-0 2,3-Dimethylphenylhydrazine hydrochloride56737-75-8 2,5-Dimethylphenylhydrazine hydrochloride56737-78-1 (2-Ethylphenyl)hydrazine hydrochloride58711-02-7 2,4-Dimethylphenylhydrazine hydrochloride60480-83-3 (3,5-Dimethylphenyl)hydrazine hydrochloride60481-36-9 3,4-Dimethylphenylhydrazine hydrochloride60481-51-8

Elsewhere

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