Compound: ACRIDINE
SMILES: n1c2c(cc3c1cccc3)cccc2
InChIKey: DZBUGLKDJFMEHC-UHFFFAOYSA-N
Synonyms: ACRIDINE, 260-94-6, 9-Azaanthracene, 10-Azaanthracene, 2,3-Benzoquinoline, Acrydine, Akridin, Dibenzo[b,e]pyridine, Benzo(b)quinoline, Dibenzo(b,e)pyridine, 2,3,5,6-Dibenzopyridine, Benzo[b]quinoline, Akridin [Czech], NSC 3408, NSC-3408, CCRIS 1636, HSDB 634, EINECS 205-971-6, UNII-42NI1P5Q1X, UN2713, BRN 0120200, 42NI1P5Q1X, CHEBI:36420, AI3-15279, ACRIDINE [MI], 39327-16-7, DTXSID8059766, 5-20-08-00199 (Beilstein Handbook Reference), UN 2713, DIBENZO (B,E) PYRIDINE, DIBENZO [B,E] PYRIDINE, Aceridine, 9Azaanthracene, 10Azaanthracene, 2,3Benzoquinoline, 9-ASAANTHRACENE, RefChem:109388, 2,3,5,6Dibenzopyridine, BENZO (B) QUINOLINE, DIBENZO(B,C)PYRIDINE, DTXCID6037433, 205-971-6, 9,9-dimethyl-2-nitro-9,10-dihydroacridine, Benzoquinoline, DZBUGLKDJFMEHC-UHFFFAOYSA-N, InChI=1/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9, NSC3408, MFCD00005025, Acridines, acridine acid, ACRIDINE (1,2,3,4,5,6,7,8,9-D9), Coal tar pitch volatiles: acridine, Acridine, 97%, UPCMLD-DP077, SCHEMBL8339, SCHEMBL23981, SCHEMBL24814, SCHEMBL25265, SCHEMBL26373, SCHEMBL27027, CHEMBL39677, SCHEMBL752521, WLN: T C666 BNJ, orb3029221, SCHEMBL1663602, SCHEMBL3922976, SCHEMBL4106752, SCHEMBL9322559, SCHEMBL29352289, UPCMLD-DP077:001, Acridine (purified by sublimation), Acridine [UN2713]  [Poison], BDBM50551545, AKOS001568550, EBC-332170, FA17205, MSK001425-100T, Acridine Solution in Toluene, 100ug/mL, MSK001425-1000T, NCGC00161635-01, NCGC00161635-02, AS-42152, Acridine Solution in Toluene, 1000ug/mL, DB-046832, A0129, A0294, A3436, NS00009725, ST50330595, EN300-21156, C20141, AC-907/21098007, F332696, Q342713, J-200084, Acridine, BioReagent, suitable for fluorescence, >=97.0% (HPLC)
Theoretical properties:
molecular_formula: C13H9N
molecular_weight: 179.22 g/mol
exact_mass: 179.073499291 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 14
topological_polar_surface_area: 12.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: RHOMBOHEDRAL NEEDLES OR PRISMS FROM ALCOHOL; MONOCLINIC, ORTHORHOMBIC
color: RHOMBOHEDRAL NEEDLES OR PRISMS FROM ALCOHOL; MONOCLINIC, ORTHORHOMBIC
boiling_point: 655 °F at 760 mmHg (NTP, 1992)
melting_point: 225 to 230 °F (NTP, 1992)
density: 1.2 at 68 °F (approx.) (USCG, 1999) - Denser than water; will sink
solubility: SLIGHTLY SOL IN HOT WATER; VERY SOL IN ALCOHOL, ETHER, BENZENE AND CARBON DISULFIDE
vapor_pressure: 1 mmHg at 255.9 °F (NTP, 1992)
Descriptions:
pubchem: Acridine is a polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom. It has a role as a genotoxin. It is a member of acridines, a mancude organic heterotricyclic parent and a polycyclic heteroarene.
chebi: A polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom.
chembl: ACRIDINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Acridine is an organic compound and a nitrogen heterocycle with the formula C13H9N. Acridines are substituted derivatives of the parent ring.  It is a planar molecule that is structurally related to anthracene with one of the central CH groups replaced by nitrogen. Like the related molecules pyridine and quinoline, acridine is mildly basic. It is an almost colorless solid, which crystallizes in needles.  There are few commercial applications of acridines; at one time acridine dyes were popular, but they are now relegated to niche applications, such as with acridine orange. The name is a reference to the acrid odour and acrid skin-irritating effect of the compound.