chempirical

Wurster's blue

C10H16N2CAS 100-22-1164.25 g/mol

Open in Covalent MOL file
NN
Tertiary amine

Properties

Molecular formula
C10H16N2
Molar mass
164.25 g/mol
Exact mass
164.1313 Da
Melting point
51 °C
Boiling point
260 °C
Flash point
112.8 °C
Water solubility
< 1 g/L (21.1 °C)
logP
1.82Crippen estimate
Polar surface area
6.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 612-032-00-8), via PubChem.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
100-22-1
SMILES
CN(C)c1ccc(N(C)C)cc1
InChIKey
CJAOGUFAAWZWNI-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3

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Names and synonyms

23 names · show all
  • 1,4-Benzenediamine, N1,N1,N4,N4-tetramethyl-
  • p-Phenylenediamine, N,N,N′,N′-tetramethyl-
  • 1,4-Benzenediamine, N,N,N′,N′-tetramethyl-
  • N1,N1,N4,N4-Tetramethyl-1,4-benzenediamine
  • 1,4-Bis(dimethylamino)benzene
  • TMPD
  • p-Bis(dimethylamino)benzene
  • Tetramethyl-p-phenylenediamine
  • N,N,N′,N′-Tetramethyl-1,4-phenylenediamine
  • TMPD (amine)
  • N,N-Dimethyl-p-(dimethylamino)aniline
  • N,N,N′,N′-Tetramethyl-p-benzenediamine
  • TMPDA
  • N,N,N′,N′-Tetramethyl-1,4-diaminobenzene
  • Wurster's reagent
  • 4-(Dimethylamino)-N,N-dimethylaniline
  • N,N,N′,N′-Tetramethyl-p-phenylenediamine
  • p-(Dimethylamino)-N,N-dimethylaniline
  • TMPPD
  • N,N,N′,N′-Tetramethyl-1,4-benzenediamine
  • Reagents, wurster's
  • 1-N,1-N,4-N,4-N-Tetramethylbenzene-1,4-diamine
  • N,N,N',N'-Tetramethyl-p-phenylenediamine

Reactions

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 100-22-1. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Wurster's blue

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

Tetramethyl-p-phenylenediamine dihydrochloride637-01-4Salt

Similar compounds

N,N,N',N'-Tetramethylbenzidine366-29-080 % similar Dimethyl-p-toluidine99-97-871 % similar Dimethylaniline121-69-769 % similar Tetramethyldiaminodiphenylmethane101-61-167 % similar 4-Fluoro-N,N-dimethylaniline403-46-367 % similar 4-Bromo-N′,N′-dimethylaniline586-77-667 % similar Leucocrystal violet603-48-567 % similar Dimethyl-4-phenylenediamine99-98-967 % similar

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

Same formula

N-Benzyl-1,3-propanediamine13910-48-0 Sebaconitrile1871-96-1 2,3,5,6-Tetramethyl-1,4-phenylenediamine3102-87-2 N-(3-Aminopropyl)-N-methylaniline53485-07-7 (2-Amino-1-phenylethyl)dimethylamine6342-21-8 4-(tert-Butyl)-1,2-diaminobenzene68176-57-8 Color developing agent 193-05-0

Elsewhere

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