Compound: Diphenylamine
SMILES: N(c1ccccc1)c2ccccc2
InChIKey: DMBHHRLKUKUOEG-UHFFFAOYSA-N
Synonyms: Diphenylamine, N-Phenylaniline, 122-39-4, N,N-DIPHENYLAMINE, N-Phenylbenzenamine, Anilinobenzene, Phenylaniline, Scaldip, Big Dipper, N-Phenylbenzeneamine, Benzenamine, N-phenyl-, Aniline, N-phenyl-, No-Scald, Benzene, anilino-, Difenylamin, Deccoscald 282, Naugalube 428L, N-Fenylanilin, Shield DPA, No-Scald DPA 283, Benzene, (phenylamino)-, No scald, N-Phenylbenzenamine, styrenated, (phenylamino)benzene, C.I. 10355, DTXSID4021975, 9N3CBB0BIQ, C6H5-NH-C6H5, CHEBI:4640, CI 10355, NSC-215210, DTXCID001975, RefChem:5769, 204-539-4, Pyridyl-biphenylyl-acetamide, Styrenated diphenylamine, DIPHENYL-AMINE, MFCD00003014, NSC 215210, Diphenylamine solution, Difenylamin [Czech], DIPHENYL AMINE, Caswell No. 398, N-Fenylanilin [Czech], 25656-57-9, CAS-122-39-4, CCRIS 4699, Diphenylamine indicator, HSDB 1108, DIPHENYLAMINE, ACS, EINECS 204-539-4, UNII-9N3CBB0BIQ, EPA Pesticide Chemical Code 038501, phenyl aniline, Anilino-Benzene, AI3-00781, (Diphenyl)amine, n-phenyl-aniline, N-(phenyl)aniline, n,n-diphenyl amine, N,N-di-phenylamine, n-phenyl-benzenamine, Diphenylamine, p.a., (phenylamino)-Benzene, No scald dpa 283, Ph2NH, Cetirizine Impurity 57, Diphenylamine, >=98%, WLN: RMR, Diphenylamine, ACS grade, Diphenylamine solution R1, N-Phenylbenzenamine, 9CI, SCHEMBL229, DIPHENYLAMINE [MI], Epitope ID:115002, EC 204-539-4, Oprea1_815288, SCHEMBL49629, SCHEMBL69437, SCHEMBL72023, MLS002152913, BIDD:ER0338, CHEMBL38688, SCHEMBL226139, orb3029566, QSPL 033, SCHEMBL3003404, SCHEMBL7090460, SCHEMBL11470761, SCHEMBL12467721, 2-Biphenylyl-N-pyridyl-Acetamide, N,N-DIPHENYLAMINE [HSDB], PDK0048, HMS1788N11, HMS3034E05, MSK21093, Tox21_201611, Tox21_301026, EBC-44028, NSC215210, SBB058673, STK301666, Diphenylamine, ACS reagent, >=99%, Diphenylamine, ReagentPlus(R), 99%, AKOS000119099, NC-0220, NCGC00090889-01, NCGC00090889-02, NCGC00090889-03, NCGC00090889-04, NCGC00090889-05, NCGC00254928-01, NCGC00259160-01, AC-16417, SMR000777939, Diphenylamine 10 microg/mL in Cyclohexane, D0872, D1229, Diphenylamine 100 microg/mL in Acetonitrile, NS00010366, ST45053747, Diphenylamine, Vetec(TM) reagent grade, 98%, EN300-18732, H57845, Diphenylamine 1000 microg/mL in Dichloromethane, Diphenylamine, PESTANAL(R), analytical standard, AE-641/01947044, Q412265, Z90121252, F2190-0411, Diphenylamine, puriss. p.a., redox indicator, ACS reagent, reag. Ph. Eur., >=98% (GC), InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13
Theoretical properties:
molecular_formula: C12H11N
molecular_weight: 169.22 g/mol
exact_mass: 169.089149355 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 2
heavy_atom_count: 13
topological_polar_surface_area: 12 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Monoclinic leaflets from dilute alcohol
color: Monoclinic leaflets from dilute alcohol
odor: Pleasant, floral odor.
boiling_point: 576 °F at 760 mmHg (NTP, 1992)
melting_point: 129 to 131 °F (NTP, 1992)
density: 1.068 at 141.8 °F (USCG, 1999) - Denser than water; will sink
solubility: less than 1 mg/mL at 61 °F (NTP, 1992)
flash_point: 307 °F (NTP, 1992)
vapor_pressure: 1 mmHg at 226.9 °F ; 60 mmHg at 404.4 °F (NTP, 1992)
Descriptions:
pubchem: Diphenylamine is an aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union. It has a role as a ferroptosis inhibitor, an antioxidant, a radical scavenger, a carotogenesis inhibitor, an EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor and an antifungal agrochemical. It is an aromatic amine, a secondary amino compound and a bridged diphenyl fungicide.
chebi: An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union.
chembl: DIPHENYLAMINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Diphenylamine is an organic compound with the formula (C6H5)2NH. The compound is a derivative of aniline, consisting of an amine bound to two phenyl groups. The compound is a colorless solid, but commercial samples are often yellow due to oxidized impurities. Diphenylamine dissolves well in many common organic solvents, and is moderately soluble in water. It is used mainly for its antioxidant properties. Diphenylamine is widely used as an industrial antioxidant, dye mordant and reagent and is also employed in agriculture as a fungicide and antihelmintic.