o-Toluidine
PubChem CID: 7242
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| Compound Synonyms | o-Toluidine, 2-Methylaniline, 95-53-4, 2-Toluidine, o-Tolylamine, 2-Methylbenzenamine, o-Methylaniline, ortho-toluidine, 2-AMINOTOLUENE, 2-Methyl-1-aminobenzene, o-Aminotoluene, o-Methylbenzenamine, Benzenamine, 2-methyl-, 1-Amino-2-methylbenzene, 2-Amino-1-methylbenzene, o-Toluidin, o-Toluidyna, 1-Methyl-2-aminobenzene, ortho Toluidine, Aniline, 2-methyl-, 2-Methylbenzamine, RCRA waste number U328, 2-methyl-aniline, 2-methylphenylamine, Benzenamine, methyl-, o-Toluidin [Czech], 2-Toluidine-d7, CCRIS 597, NSC 15348, o-Toluidyna [Polish], DTXSID1026164, HSDB 2042, o-Toluide, 2-tolylamine, UNII-B635MZ0ZLU, C.I. 37077, EINECS 202-429-0, B635MZ0ZLU, CHEBI:66892, AI3-24383, MFCD00007730, NSC-15348, DTXCID206164, EC 202-429-0, NSC15348, O-TOLUIDINE-D3 (METHYL-D3), 121536-13-8, O-Toluidin (CZECH), O-Toluidyna (POLISH), ORTHO-TOLUIDINE (IARC), ORTHO-TOLUIDINE [IARC], 68408-22-0, CAS-95-53-4, PRILOCAINE IMPURITY B (EP IMPURITY), PRILOCAINE IMPURITY B [EP IMPURITY], RCRA waste no. U328, ortho-tolylamine, o-tolyl-amine, 2-amino toluene, 2 -methylaniline, 2-methyl aniline, 2-(methyl)aniline, 51V, o-Toluidine, liquid, 2-methyl-benzenamine, o-Toluidine, 98%, o-Toluidine, >=99%, TOLUIDINE (ORTHO), O-TOLUIDINE [MI], O-TOLUIDINE(1%), CHEMBL1381, WLN: ZR B1, SCHEMBL15789, o-Toluidine, liquid or solid, MLS002415766, 2-Aminotoluene (o-toluidine), BIDD:ER0679, 2-AMINOTOLUENE [HSDB], o-Toluidine, analytical standard, O-Toluidine (ACD/Name 4.0), o-Toluidine, p.a., 99.5%, 2-Methylbenzenamine (o-Toluidine), HMS3039B11, BCP17522, STR00213, Tox21_201256, Tox21_300179, STL163331, 2-Methylphenylamine (ACD/Name 4.0), AKOS000119109, o-Toluidine 500 microg/mL in Methanol, NCGC00091368-01, NCGC00091368-02, NCGC00091368-03, NCGC00091368-04, NCGC00253986-01, NCGC00258808-01, o-Toluidine 10 microg/mL in Cyclohexane, BP-21341, CI 37077, SMR001370921, o-Toluidine 100 microg/mL in Cyclohexane, NS00008265, o-Toluidine, SAJ special grade, >=99.0%, T0299, EN300-33459, o-Toluidine, purum p.a., >=99.5% (GC), Q311695, o-Toluidine, liquid or solid [UN1708] [Poison], Z57127943, F2190-0418, PRILOCAINE HYDROCHLORIDE IMPURITY B [EP IMPURITY], InChI=1/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H, 202-429-0 |
|---|---|
| Topological Polar Surface Area | 26.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Description | O-toluidine, also known as 2-aminotoluene or 1-amino-2-methylbenzene, is a member of the class of compounds known as aminotoluenes. Aminotoluenes are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group. O-toluidine is soluble (in water) and a strong basic compound (based on its pKa). O-toluidine can be found in tea, which makes O-toluidine a potential biomarker for the consumption of this food product. O-toluidine is formally rated as a carcinogenic (IARC 1) potentially toxic compound. The chemical properties of the toluidines are quite similar to those of aniline, and toluidines have properties in common with other aromatic amines. Due to the amino group bonded to the aromatic ring, the toluidines are weakly basic. The toluidines are poorly soluble in pure water but dissolve well in acidic water due to formation of ammonium salts, as usual for organic amines. ortho- and meta-toluidines are viscous liquids, but para-toluidine is a flaky solid. This difference is related to the fact that the p-toluidine molecules are more symmetrical. p-Toluidine can be obtained from reduction of p-nitrotoluene. p-Toluidine reacts with formaldehyde to form Tröger's base . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 70.8 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylaniline |
| Nih Violation | False |
| Class | Benzene and substituted derivatives |
| Xlogp | 1.3 |
| Superclass | Benzenoids |
| Is Pains | False |
| Subclass | Toluenes |
| Molecular Formula | C7H9N |
| Inchi Key | RNVCVTLRINQCPJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| State | liquid |
| Synonyms | 1-Amino-2-methylbenzene, 1-Methyl-2-aminobenzene, 2-Amino-1-methylbenzene, 2-Methyl-1-aminobenzene, 2-Methylaniline, 2-Methylaniline hydrochloride, 2-Methylbenzamine, 2-Methylbenzenamine, 2-Toluidine, Aniline, 2-methyl-, Benzenamine, 2-methyl-, O-aminotoluene, O-methylaniline, O-methylbenzenamine, O-toluide, O-toluidin, O-TOLUIDINE (SEE ALSO O-TOLUIDINE HYDROCHLORIDE 636-21-5), O-toluidine hydrochloride, o-Toluidine, liquid or solid [UN1708] [Poison], O-toluidyna, O-tolylamine, 2-Aminotoluene, O-Aminotoluene, O-Methylaniline, O-Methylbenzenamine, O-Tolylamine, 2-Methyl-aniline, 2-Methyl-benzenamine, 2-Methylphenylamine (acd/name 4.0), O-Toluide, O-Toluidin, O-Toluidine (acd/name 4.0), O-Toluidyna, ortho-Toluidine, Rcra waste number u328, 2-Toluidine sulfate, 2-Toluidine hydrochloride, 2-Toluidine perchlorate, 2-Toluidine, (ar)-isomer, 2-Toluidine, lithium salt |
| Compound Name | o-Toluidine |
| Kingdom | Organic compounds |
| Exact Mass | 107.073 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 107.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 107.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3 |
| Smiles | CC1=CC=CC=C1N |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Aminotoluenes |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all