3,4-Diaminotoluene
Properties
- Molecular formula
- C7H10N2
- Molar mass
- 122.17 g/mol
- Exact mass
- 122.0844 Da
- Melting point
- 80–90 °C
- Boiling point
- 265 °C
- Water solubility
- < 1 g/L (17.2 °C)
- logP
- 1.16Crippen estimate
- Polar surface area
- 52.0 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed79.1% of notifiers
- H302 Harmful if swallowed20.9% of notifiers
- H312 Harmful in contact with skin97.2% of notifiers
- H315 Causes skin irritation18.1% of notifiers
- H317 May cause an allergic skin reaction76% of notifiers
- H319 Causes serious eye irritation93.7% of notifiers
- H332 Harmful if inhaled62% of notifiers
- H335 May cause respiratory irritation14.6% of notifiers
- H341 Suspected of causing genetic defects70.4% of notifiers
- H350 May cause cancer76.3% of notifiers
- H361 Suspected of damaging fertility or the unborn child68.3% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure68.3% of notifiers
- H411 Toxic to aquatic life with long lasting effects76% of notifiers
Aggregated from 287 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
496-72-0SMILES
Cc1ccc(N)c(N)c1InChIKey
DGRGLKZMKWPMOH-UHFFFAOYSA-NInChI
InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
15 names · show all
- 1,2-Benzenediamine, 4-methyl-
- Toluene-3,4-diamine
- 4-Methyl-1,2-benzenediamine
- 4-Methyl-1,2-diaminobenzene
- 4-Methyl-o-phenylenediamine
- 3,4-Diamino-1-methylbenzene
- 3,4-Tolylenediamine
- 4-Methyl-1,2-phenylenediamine
- 1,2-Diamino-4-methylbenzene
- 4-Methyl-2-aminoaniline
- 2-Amino-5-methylaniline
- 2-Amino-4-methylaniline
- NSC 1495
- 5-Methylbenzene-1,2-diamine
- 2-Amino-4-methylphenylamine
Work with 3,4-Diaminotoluene
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
Similar compounds
2,4-Xylidine95-68-165 % similar
2,5-Xylidine95-78-365 % similar
2-Chloro-4-methylaniline615-65-663 % similar
2-Iodo-5-methylbenzenamine13194-69-960 % similar
2-Amino-5-methylphenol2835-98-560 % similar
2-Iodo-4-methylaniline29289-13-260 % similar
2-Fluoro-4-methylaniline452-80-260 % similar
2-Fluoro-5-methylaniline452-84-660 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.