Compound: 2,6-Dimethylaniline
SMILES: Nc1c(cccc1C)C
InChIKey: UFFBMTHBGFGIHF-UHFFFAOYSA-N
Synonyms: 2,6-Dimethylaniline, 87-62-7, 2,6-XYLIDINE, 2-Amino-m-xylene, o-Xylidine, 2,6-Dimethylbenzenamine, 2,6-Dimethylphenylamine, 2-Amino-1,3-dimethylbenzene, Benzenamine, 2,6-dimethyl-, 2-Amino-1,3-xylene, 2,6-Xylylamine, 1-Amino-2,6-dimethylbenzene, vic-m-xylidine, Aniline, 2,6-dimethyl-, NSC 7098, NCI-C56188, DTXSID8026307, Benzene, 2-amino-1,3-dimethyl-, 4FT62OX08D, 2,6-DMA, DTXCID006307, CHEBI:28738, NSC-7098, RefChem:908897, 201-758-7, 2,6-Dimethylaniline hydrochloride, MFCD00007747, 2,6-Dimethyl-aniline, o-Xylidine (VAN), Xylylamine, CAS-87-62-7, CCRIS 2373, HSDB 2094, Lidocaine EP Impurity A, EINECS 201-758-7, BRN 0636332, UNII-4FT62OX08D, AI3-52358, 2,6 dimethylaniline, 2.6-dimethylaniline, Aniline,6-dimethyl-, 2,6 dimethyl aniline, 2,6-dimethyl aniline, Benzenamine,6-dimethyl-, 2,6-dimethylbenzeneamine, 2,6-Dimethylaminobenzene, 2,6-dimethyl-phenylamine, 2,6-dimethyl benzeneamine, (2,6-dimethylphenyl)amine, Bupivacaine impurity F CRS, EC 201-758-7, SCHEMBL75197, 2,6-Dimethylaniline, 99%, 4-12-00-02521 (Beilstein Handbook Reference), SCHEMBL106244, SCHEMBL140024, SCHEMBL195950, SCHEMBL653910, WLN: ZR B1 F1, (2,6-dimethyl-phenyl)-amine, orb3139153, 2,6-XYLIDINE [HSDB], CHEMBL1340793, SCHEMBL11499143, MSK1224, NSC7098, STR00521, 2,6-DIMETHYLANILINE [IARC], Tox21_201426, Tox21_300055, EBC-04273, MSK1224-100A, SBB008136, STL281861, AKOS000120115, FD22351, PS-3428, Bupivacaine Impurity F [EP IMPURITY], 2,6-Dimethylaniline, analytical standard, NCGC00091576-01, NCGC00091576-02, NCGC00091576-03, NCGC00254105-01, NCGC00258977-01, AC-11240, PD065540, 2,6-DIMETHYLANILINE [USP IMPURITY], DB-027693, CS-0012942, D0669, NS00008896, ST45255300, EN300-17976, 2,6-Dimethylaniline, purum, >=98.0% (GC), H55101, 2,6-Dimethylaniline 100 microg/mL in Isooctane, F033243, Q4353533, Z57127391, 2,6-Dimethylaniline Solution in Acetonitrile, 100_g/mL, 2,6-Dimethylaniline, PESTANAL(R), analytical standard, F2190-0466, BUPIVACAINE HYDROCHLORIDE IMPURITY F [EP IMPURITY], Bupivacaine impurity F, European Pharmacopoeia (EP) Reference Standard, InChI=1/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H, Lidocaine EP Impurity A; Ropivacaine EP Impurity H; Bupivacaine EP Impurity F; Mepivacaine EP Impurity A
Theoretical properties:
molecular_formula: C8H11N
molecular_weight: 121.18 g/mol
exact_mass: 121.089149355 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 9
topological_polar_surface_area: 26 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Yellow liquid
color: Yellow liquid
odor: Characteristic odor
boiling_point: 417 °F at 739 mmHg (NTP, 1992)
melting_point: 47.1 °F (NTP, 1992)
density: 0.984 (USCG, 1999) - Less dense than water; will float
solubility: less than 1 mg/mL at 75 °F (NTP, 1992)
flash_point: 196 °F (NTP, 1992)
vapor_pressure: 1 mmHg at 111.2 °F ; 5 mmHg at 162.7 °F; 100 mmHg at 295 °F (NTP, 1992)
Descriptions:
pubchem: 2,6-Xylidine (2,6-Dimethylaniline) can cause cancer according to The National Toxicology Program.
chebi: A primary arylamine that is aniline in which the hydrogens at the 2- and 6-positions are replaced by methyl groups. It is used in the production of some anasthetics and other chemicals. It is a drug metabolite of lidocaine (local anasthetic).
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Xylidine can refer to any of the six isomers of xylene amine, or any mixture of them.
The chemical formula of xylidines is C8H11N or, more descriptively, (CH3)2C6H3NH2. The CAS number for the isomer mixture is 1300-73-8. They are colorless solids or liquids, although commercial samples can appear yellow or darker. They are miscible with ethanol and diethyl ether and slightly soluble in water. Xylidines are used in production of pigments and dyestuffs, and various antioxidants, agrochemicals, pharmaceuticals, hypergolic propellants, and many other organic chemicals.
In World War II, xylidine was an important antiknock agent in very high performance aviation gasolines. Its purpose was to permit high levels of boost pressure in multiple-stage turbochargers, and thus high power at high altitudes, without causing detonation that would destroy the engine. The high pressures brought high temperatures of inlet air, making engines prone to knock. This use and storage stabilization methods were important military secrets.