CAS 2051-79-8 N,N-Diethyltoluene-2,5-diamine hydrochloride (HCID 108623)

Substructure search Find similar structures

Basic information

CAS: 2051-79-8
Standard SMILES: CCN(CC)c1ccc(N)c(C)c1.Cl
InChIKey: MPLZNPZPPXERDA-UHFFFAOYSA-N
Molecular formula: C11H18N2.ClH
Average molar mass: 214.73 g/mol
Monoisotopic mass: 214.12367629

Names & identifiers

Preferred name: N,N-Diethyltoluene-2,5-diamine hydrochloride
IUPAC: 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydrochloride
English name: 4-(N,N-Diethyl)-2-methyl-p-phenylenediamine monohydrochloride
Molecular formula: C11H19ClN2
Molecular weight: 214.74

Names & synonyms

2-Amino-5-(diethylamino)toluene Monohydrochloride4-Diethylamino-o-toluidine HCl1,4-Benzenediamine, N4,N4-diethyl-2-methyl-, monohydrochloride1,4-Benzenediamine, N4,N4-diethyl-2-methyl-, hydrochloride (1:1)PPD 239MIH70E0IDTXSID1038799N,N-Diethyltoluene-2,5-diamine hydrochlorideEINECS 246-484-94-Diethylamino-o-toluidine hydrochlorideN,N-DIETHYLTOLUENE-2,5-DIAMINE HCL4-AMINO-N,N-DIETHYL-M-TOLUIDINE HYDROCHLORIDE

Show more names

CD-2N1,N1-Diethyl-3-methyl-para-phenylenediamineN4,N4-DIETHYL-2-METHYL-1,4-PHENYLENEDIAMINE MONOHYDROCHLORIDESRBCLy-37LFA-2SRBC-RCD 2 DEVELOPER

3-METHYL-4-AMINO-N,N-DIETHYLANILINE HYDROCHLORIDE3-METHYL-4-AMINO-N,N-DIETHYLANILINE MONOHYDROCHLORIDEN5, N5-DIETHYLTOLUENE-2,5-DIAMINE MONOHYDROCHLORIDEN',N'-DIETHYL-2-METHYL-1,4-PHENYLENEDIAMINE MONOHYDROCHLORIDERefChem:822343DTXCID9018799N,N-DIETHYLTOLUENE-2,5-DIAMINE HCL [INCI]1,4-Benzenediamine, N4,N4-diethyl-2-methyl-, hydrochloride

Properties

Computed structural properties

Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 143

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

CosmeticsHair dyeing

Physical DescriptionWhite odorless crystalline solid; [Kodak MSDS]

Physicochemical properties

Melting point: 250 °C · 250 °C (dec.)(lit.)
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
color: White to Off-White
Water Solubility: almost transparency
Stability: Stable under normal conditions., Stable Under Normal Conditions.
Cosmetics Ingredients Functions: HAIR DYEING
InChI: InChI=1S/C11H18N2.ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;/h6-8H,4-5,12H2,1-3H3;1H
InChIKey

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Hazard information

Regulatory Information · 3 items

Chemical: 1,4-Benzenediamine, N4,N4-diethyl-2-methyl-, monohydrochloride

1,4-Benzenediamine, N4,N4-diethyl-2-methyl-, monohydrochloride: Does not have an individual approval but may be used under an appropriate group standard

4-Diethylamino-o-toluidine hydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1,4-Benzenediamine, N4,N4-diethyl-2-methyl-, monohydrochloride: Human health tier II assessment

Hazards Summary · 1 item

Can cause skin sensitization; [Marks] May form explosive dust-air mixtures; An eye irritant; Prolonged or repeated skin exposure may cause drying, cracking, or irritation; May cause skin sensitization (positive results in human test); May cause liver injury, based on animal studies (targets liver in repeated-dose oral studies of rats); Harmful by ingestion and inhalation; [Kodak MSDS]

Hazard Classes and Categories · 3 items

Acute Tox. 3 (100%)

Acute toxicity - category 3

Acute Tox. 3 *

Toxicology

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used as professional photographic processing chemical; [Kodak MSDS]

Photographic Processing [Category: Other]

Use ClassificationCosmetics -> Hair dyeing

General Manufacturing Information1,4-Benzenediamine, N4,N4-diethyl-2-methyl-, hydrochloride (1:1): ACTIVE

Applications · 3 items

DescriptionCD2 is a color-film developer. It acts as an allergen and an irritant in photographers. Cross reaetivity is possible with Disperse Blue 124, Disperse Blue 106, and Disperse red 17, but not to para-amino Compounds.

UsesN,N-Diethyl-2-methyl-l,4-phenylene-diamine hydrochloride is a color-developing agent; color developer for Eastman print and Gevacolor color-development baths.

Uses4-(N,N-Diethyl)-2-Methyl-p-Phenylenediamine Monohydrochloride (cas# 2051-79-8) was identified by HPLC in oxidative hair dye products.