2,5-Diaminotoluene

C₇H₁₀N₂CAS 95-70-5122.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₀N₂
Molar mass: 122.17 g/mol
Exact mass: 122.0844 Da
Melting point: 64 °C
Boiling point: 273.5 °C
Water solubility: soluble
logP: 1.16Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H312 Harmful in contact with skinAcute toxicity, dermal
H317 May cause an allergic skin reactionSensitization, Skin
H332 Harmful if inhaledAcute toxicity, inhalation
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-125-00-3), via PubChem.

Precautionary statements

P261, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

95-70-5

SMILES

Cc1cc(N)ccc1N

InChIKey

OBCSAIDCZQSFQH-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2/c1-5-4-6(8)2-3-7(5)9/h2-4H,8-9H2,1H3

Weigh it out

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

Names and synonyms

13 names · show all

1,4-Benzenediamine, 2-methyl-
Toluene-2,5-diamine
2-Methyl-1,4-benzenediamine
C.I. 76042
Toluylene-2,5-diamine
2-Methyl-p-phenylenediamine
4-Amino-2-methylaniline
2-Methyl-1,4-phenylenediamine
p-Toluenediamine
1,4-Diamino-2-methylbenzene
1-Methyl-2,5-diaminobenzene
2,5-Diaminotoluol
4-Amino-3-methylaniline

Work with 2,5-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

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.

2,5-Diaminotoluene sulfate615-50-9Salt 2-Methylbenzene-1,4-diamine dihydrochloride615-45-2Salt

Similar compounds

2,4-Diaminotoluene95-80-767 % similar 3,4-Xylidine95-64-765 % similar Tolidine119-93-763 % similar 2,2′-Dimethylbenzidine84-67-363 % similar 2,4-Xylidine95-68-160 % similar 4-Iodo-2-methylaniline13194-68-858 % similar 4-Chloro-o-toluidine95-69-258 % similar 5-Amino-2-hydroxytoluene2635-95-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dimethylpyridin-3-amine1073-21-8 4-Dimethylaminopyridine1122-58-3 4,6-Dimethyl-3-pyridinamine1193-71-1 4-Pyridineethanamine13258-63-4 2-Ethyl-5-methylpyrazine13360-64-0 2,3,5-Trimethylpyrazine14667-55-1 3-Methyl-2-pyridinemethanamine153936-26-6 2-Ethyl-3-methylpyrazine15707-23-0

Elsewhere

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