N,N-Diethyl-p-phenylenediamine hydrochloride

C₁₀H₁₇ClN₂CAS 2198-58-5200.71 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₇ClN₂
Molar mass: 200.71 g/mol
Exact mass: 200.1080 Da
Melting point: 222–223 °C
logP: 2.54Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 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

2198-58-5

SMILES

CCN(CC)c1ccc(N)cc1.Cl

InChIKey

XTBFKMDOQMQYPP-UHFFFAOYSA-N

InChI

InChI=1S/C10H16N2.ClH/c1-3-12(4-2)10-7-5-9(11)6-8-10;/h5-8H,3-4,11H2,1-2H3;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-diethyl-, hydrochloride (1:1)
p-Phenylenediamine, N,N-diethyl-, monohydrochloride
1,4-Benzenediamine, N,N-diethyl-, monohydrochloride
N,N-Diethyl-p-phenylenediamine monohydrochloride
CD 1
CD 1 (amine)

Work with N,N-Diethyl-p-phenylenediamine hydrochloride

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.

Color developing agent 193-05-0Free base Diethyl-p-phenylenediamine sulfate6283-63-2Salt N,N-Diethyl-p-phenylenediamine oxalate62637-92-7Salt

Similar compounds

4-(4-Ethyl-1-piperazinyl)benzenamine115619-01-761 % similar p-Amino-N,N-dimethylaniline monohydrochloride2052-46-255 % similar N,N-Dimethyl-p-phenylenediamine dihydrochloride536-46-955 % similar N,N-Diethyltoluene-2,5-diamine hydrochloride2051-79-854 % similar N,N-Diethyl-p-toluidine613-48-952 % similar 4-(4-Methylpiperazin-1-yl)aniline16153-81-450 % similar 4-Bromo-N,N-diethylbenzenamine2052-06-450 % similar 4-(Piperidin-1-yl)aniline2359-60-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-tert-Butylphenylhydrazine hydrochloride128231-55-0 4-N-Butylphenylhydrazine hydrochloride64287-11-2

Elsewhere

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