Compound: 3,4-Dimethylaniline
SMILES: Nc1cc(c(C)cc1)C
InChIKey: DOLQYFPDPKPQSS-UHFFFAOYSA-N
Synonyms: 3,4-Dimethylaniline, 95-64-7, 3,4-XYLIDINE, 4-Amino-o-xylene, 3,4-Dimethylbenzenamine, 3,4-Xylylamine, Benzenamine, 3,4-dimethyl-, 1-Amino-3,4-dimethylbenzene, 3,4-Dimethylphenylamine, 3,4-Dimethylaminobenzene, 4-Amino-1,2-dimethylbenzene, 3,4-Dimethylbenzeneamine, DTXSID3026308, 3,4-dimethylbenzene-1-amine, Benzene, 4-amino-1,2-dimethyl-, R27I33AIDT, AI3-22779, NSC-41800, DTXCID406308, CHEBI:39901, RefChem:91282, 202-437-4, Aniline, 3,4-dimethyl, MFCD00007810, NSC 41800, Aniline, 3,4-dimethyl-, Benzenamine,4-dimethyl-, WLN: ZR C1 D1, CCRIS 4741, HSDB 2095, EINECS 202-437-4, UNII-R27I33AIDT, BRN 0507414, 3,4-dimetylaniline, 3,4-dimethyl aniline, 3,4-dimethyl-phenylamine, Medetomidine Impurity 32, (3,4-dimethylphenyl)amine, EC 202-437-4, Dexmedetomidine Impurity 55, SCHEMBL33278, XYLIDINE, 3,4-, 3,4-Dimethylaniline, 98%, 4-12-00-02502 (Beilstein Handbook Reference), MLS002302996, BIDD:GT0847, SCHEMBL654472, (3,4-dimethyl-phenyl)-amine, SCHEMBL3226130, SCHEMBL5505774, SCHEMBL7989826, 3,4-XYLIDINE [HSDB], CHEMBL1230039, SCHEMBL10732477, SCHEMBL29977912, NSC7099, HMS3039N06, NSC-7099, NSC41800, STR00577, Tox21_200058, EBC-47447, MSK1266-100A, SBB040496, STL169144, AKOS000119113, DB03018, PS-4095, CAS-95-64-7, XYLIDINE 3,4-DIMETHYLBENZENAMINE, NCGC00091393-01, NCGC00091393-02, NCGC00257612-01, 34A, AC-10833, PD007454, SMR001307311, DB-021935, D0670, NS00006565, ST45255272, EN300-19070, XYLIDINE 3,4-DIMETHYLBENZENAMINE [MI], F038327, Q4634078, 3,4-Dimethylaniline(Discontinued,See C4X-123055), 3,4-Dimethylaniline Solution in Acetonitrile, 100ug/mL, 3506D145-E251-4BEA-B1C2-57DE580CBCA1, F2190-0465, Z104472552, InChI=1/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H
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: Plates of prisms from petroleum ether
color: Plates of prisms from petroleum ether
boiling_point: 442 °F at 760 mmHg (NTP, 1992)
melting_point: 124 °F (NTP, 1992)
density: 1.076 at 64 °F (NTP, 1992) - Denser than water; will sink
solubility: less than 1 mg/mL at 66 °F (NTP, 1992)
flash_point: 209 °F (NTP, 1992)
vapor_pressure: Vapor pressure, Pa at 25 °C: 4
Descriptions:
pubchem: 3,4-dimethylaniline is a primary arylamine that is aniline in which the hydrogens at the 3- and 4-positions are replaced by methyl groups. A low-melting, crystalline solid, it is used in the production of vitamin B2, dyes, pesticides and other chemicals. It is a dimethylaniline and a primary arylamine.
chebi: A  primary arylamine that is aniline in which the hydrogens at the 3- and 4-positions are replaced by methyl groups. A low-melting, crystalline solid, it is used in the production of vitamin B<small><sub>2</sub></small>, dyes, pesticides and other chemicals.
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.