2,4,6-Trimethyl-1,3-phenylenediamine

C₉H₁₄N₂CAS 3102-70-3150.22 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₉H₁₄N₂
Molar mass: 150.22 g/mol
Exact mass: 150.1157 Da
logP: 1.78Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin87% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H332 Harmful if inhaled87% of notifiers
H335 May cause respiratory irritation87% of notifiers
H341 Suspected of causing genetic defects10.9% of notifiers
H411 Toxic to aquatic life with long lasting effects13% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

3102-70-3

SMILES

Cc1cc(C)c(N)c(C)c1N

InChIKey

ZVDSMYGTJDFNHN-UHFFFAOYSA-N

InChI

InChI=1S/C9H14N2/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,10-11H2,1-3H3

Weigh it out

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

Names and synonyms

8 names

1,3-Benzenediamine, 2,4,6-trimethyl-
2,4-Mesitylenediamine
2,4,6-Trimethyl-1,3-benzenediamine
2,4,6-Trimethyl-m-phenylenediamine
1,3,5-Trimethyl-2,6-benzenediamine
NSC 10392
1,3-Diamino-2,4,6-trimethylbenzene
2,4-Diaminomesitylene

Work with 2,4,6-Trimethyl-1,3-phenylenediamine

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

Similar compounds

3-Bromo-2,4,6-trimethylaniline82842-52-267 % similar 3,3′,5,5′-Tetramethylbenzidine54827-17-757 % similar 2,4,6-Trimethylaniline88-05-155 % similar 4-Amino-3,5-dimethylphenol3096-70-652 % similar 4-Iodo-2,6-dimethylbenzenamine4102-53-852 % similar 4-Chloro-2,6-dimethylaniline24596-18-750 % similar 4-Bromo-2,6-dimethylbenzenamine24596-19-850 % similar 4,4′-Methylenebis(2,6-dimethylaniline)4073-98-750 % similar

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

Same formula

2-Isobutyl-3-methylpyrazine13925-06-9 Nonanedinitrile1675-69-0 2-Isopropyl-4-methylpyridin-3-amine1698293-93-4 2,3-Diethyl-5-methylpyrazine18138-04-0 4-Dimethylaminobenzylamine19293-58-4 N-Benzylethylenediamine4152-09-4 3-(Dimethylamino)benzenemethanamine57678-46-3 1-(4-Isopropylphenyl)hydrazine63693-65-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook