3,4-Diaminotoluene
PubChem CID: 10332
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| Compound Synonyms | 3,4-DIAMINOTOLUENE, 496-72-0, 4-methylbenzene-1,2-diamine, 3,4-Toluenediamine, 4-Methyl-o-phenylenediamine, 1,2-Benzenediamine, 4-methyl-, Toluene-3,4-diamine, 4-Methyl-1,2-phenylenediamine, 3,4-Tolylenediamine, 4-Methyl-1,2-benzenediamine, 3,4-Toluylenediamine, 1,2-Diamino-4-methylbenzene, 4-Methyl-1,2-diaminobenzene, 3,4-Diamino-1-methylbenzene, NSC 1495, CCRIS 4611, HSDB 6070, 2-amino-4-methylphenylamine, EINECS 207-826-2, OE7HJ54P5C, BRN 0507965, DTXSID9024930, Tolylene-3,4-diamine, NSC-1495, DIAMINOTOLUENE, 3,4-, DTXCID104930, 3,4-DIAMINOTOLUENE [HSDB], 4-13-00-00260 (Beilstein Handbook Reference), CAS-496-72-0, UNII-OE7HJ54P5C, 3,4Toluenediamine, Toluene3,4diamine, 3,4Tolylenediamine, 3,4-Toluendiamine, 3,4Toluylenediamine, MFCD00007728, 3,4 diamino toluene, 3,4-toluene diamine, 4Methylophenylenediamine, 1,2Diamino4methylbenzene, 3,4Diamino1methylbenzene, 4Methyl1,2benzenediamine, 4Methyl1,2diaminobenzene, 636-24-8, Tolue- ne-3,4-Diamine, 3,5-Cyclohexadiene-1,2-diimine, 4-methyl-, 4Methyl1,2phenylenediamine, WLN: ZR BZ D1, 1,2Benzenediamine, 4methyl, 3,4-Diaminotoluene, 97%, 4377-72-4, aniline, 2-amino-4-methyl-, MLS002454370, SCHEMBL102738, TOLUENE, 3,4-DIAMINO, 4-methyl-benzene-1,2-diamine, 2-AMINO-5-METHYLANILINE, 4-METHYL-2-AMINOANILINE, CHEMBL1319452, 4-methyl-benzene-1, 2-diamine, DTXSID20420347, (2-amino-5-methyl-phenyl)-amine, HMS3039M17, STR02446, WZB82057, Tox21_201749, Tox21_300507, BBL013178, MSK000544, STK895715, TOLUENE-3,4-DIAMINE [INCI], AKOS001476169, CS-W013550, NCGC00091277-01, NCGC00091277-02, NCGC00091277-03, NCGC00091277-04, NCGC00091277-05, NCGC00091277-06, NCGC00254324-01, NCGC00259298-01, AC-10826, SMR001371992, 1ST000544, DB-051663, D0125, NS00009797, EN300-41268, D77752, 3,4-Diaminotoluene, 99%, purified by sublimation, AC-907/25014184, 4-Methyl-o-phenylenediamine, purum, >=98.0% (NT), Q26841301, F0001-1293, Z394649898, 4-Methyl-o-phenylenediamine, Vetec(TM) reagent grade, 97%, InChI=1/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H, 207-826-2, 9AY |
|---|---|
| Topological Polar Surface Area | 52.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 92.9 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q16637, Q9NUW8, P10828, P51450, P16050, P04637, P08684, Q16236, Q96QE3, Q13951, O89049, P08659, P35869, O75496, O94925, P43220, Q9R1A7, P38398, P10145, Q77YF9, P51449, Q13148, O94782, Q03431, P10275, P04792 |
| Iupac Name | 4-methylbenzene-1,2-diamine |
| Prediction Hob | 1.0 |
| Target Id | NPT93, NPT50, NPT46, NPT792, NPT539, NPT109 |
| Xlogp | 0.6 |
| Molecular Formula | C7H10N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DGRGLKZMKWPMOH-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -1.33 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.996 |
| Compound Name | 3,4-Diaminotoluene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 122.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 122.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 122.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4876935333333334 |
| Inchi | InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3 |
| Smiles | CC1=CC(=C(C=C1)N)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nardostachys Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all