3,3′,5,5′-Tetramethylbenzidine dihydrochloride

C₁₆H₂₂Cl₂N₂CAS 64285-73-0313.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₂₂Cl₂N₂
Molar mass: 313.27 g/mol
Exact mass: 312.1160 Da
logP: 4.60Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H332 Harmful if inhaled50% of notifiers
H341 Suspected of causing genetic defects50% of notifiers
H351 Suspected of causing cancer50% of notifiers
H413 May cause long lasting harmful effects to aquatic life50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, P501

Identifiers

CAS number

64285-73-0

SMILES

Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N.Cl.Cl

InChIKey

NYNRGZULARUZCC-UHFFFAOYSA-N

InChI

InChI=1S/C16H20N2.2ClH/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;;/h5-8H,17-18H2,1-4H3;2*1H

Weigh it out

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

Names and synonyms

4 names

TMBZ-HCl
TMB
[1,1′-Biphenyl]-4,4′-diamine, 3,3′,5,5′-tetramethyl-, hydrochloride (1:2)
[1,1′-Biphenyl]-4,4′-diamine, 3,3′,5,5′-tetramethyl-, dihydrochloride

Work with 3,3′,5,5′-Tetramethylbenzidine 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.

3,3′,5,5′-Tetramethylbenzidine54827-17-7Free base

Similar compounds

2,6-Dimethylaniline hydrochloride21436-98-658 % similar 2,4,6-Trimethylaniline88-05-157 % similar 4-Amino-3,5-dimethylphenol3096-70-654 % similar 4-Iodo-2,6-dimethylbenzenamine4102-53-854 % similar 4-Chloro-2,6-dimethylaniline24596-18-752 % similar 4-Bromo-2,6-dimethylbenzenamine24596-19-852 % similar 4,4′-Methylenebis(2,6-dimethylaniline)4073-98-752 % similar 3,3′-Dimethylbenzidine dihydrochloride612-82-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook