Compound: Troeger's base
SMILES: N12c3c(cc(C)cc3)CN(C1)c4ccc(cc4C2)C
InChIKey: SXPSZIHEWFTLEQ-UHFFFAOYSA-N
Synonyms: Troeger's base, 529-81-7, 2,8-dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine, SP9UUR2HG4, NSC-68211, 2,8-Dimethyl-6H,12H-5,11-methanodibenzo(b,f)(1,5)diazocine, 6H,12H-5,11-Methanodibenzo(b,f)(1,5)diazocine, 2,8-dimethyl-, DTXSID30200950, 2,8-dimethyl-6H,12H-5,11-methanodibenzo(b,f)(1,5)-diazocine, 6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine, 2,8-dimethyl-, Troger base, RefChem:900656, DTXCID60123441, Troger's base, 14645-24-0, (-)-TROGER'S BASE, 21451-74-1, (+)-Troger's base, (-)-TROGER/'S BASE, 5,13-dimethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene, NSC 68211, 6H,11-Methanodibenzo[b,f](1,5)diazocine, 2,8-dimethyl-, 6H,11-Methanodibenzo[b,f][1,5]diazocine, 2,8-dimethyl-, Troger'S, Tr ger's base, (5S,11S)-(+)-2,8-Dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine, Ethano-Troger's base, (+/-)-Troeger base, Troger's Base, 98%, UNII-SP9UUR2HG4, (+/-)-Troeger's base, (-)-Tr ouml ger's base, Oprea1_285718, CBDivE_011389, MLS000105151, SCHEMBL2759894, CHEMBL1303327, SCHEMBL29409666, SXPSZIHEWFTLEQ-UHFFFAOYSA-N, HMS1579O10, HMS2376O17, AAA52981, NSC68211, CCG-15765, MFCD00134397, STK029423, (5R,11R)-2,8-Dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine, (5S,11S)-2,8-Dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine, AKOS000613560, 72151-03-2, SMR000055080, DB-042847, DB-066514, CS-0376657, ST50411744, 2,12H-5,11-methanodibenzo[b,f](1,5)diazocine, AG-205/06529009, EN300-18225157, Q410493, SR-01000408172, WLN: T C66 K66 A BN JN&T&TJ F1 N1, SR-01000408172-1, BRD-K21537419-001-07-1, (+)-Tr??ger's base, for chiral derivatization, >=99.0%, (-)-Tr??ger's base, for chiral derivatization, >=99.0%, ( )-2,8-Dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine, 2,8-Dimethyl-6,12-dihydro-5,11-methanodibenzo[b,f][1,5]diazocine, 2,8-Dimethyl-6H,12H-5,11-methano-dibenzo[b,f][1,5]diazocine, 5,11-methano-2,8-dimethyl-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine, 5,13-dimethyl-1,9-diazatetracyclo[7.7.1.0<2,7>.0<10,15>]heptadeca-2(7),3,5,10( 15),11,13-hexaene, 5,13-dimethyl-1,9-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadeca-2,4,6,10,12,14-hexaene, 5,13-dimethyl-1,9-diazatetracyclo[7.7.1.0~2,7~.0~10,15~]heptadeca-2,4,6,10,12,14-hexaene, InChI=1/C17H18N2/c1-12-3-5-16-14(7-12)9-18-11-19(16)10-15-8-13(2)4-6-17(15)18/h3-8H,9-11H2,1-2H
Theoretical properties:
molecular_formula: C17H18N2
molecular_weight: 250.34 g/mol
exact_mass: 250.146998583 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 19
topological_polar_surface_area: 6.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Tröger's base is a white solid tetracyclic organic compound. Its chemical formula is (CH3C6H3NCH2)2CH2. Tröger's base and its analogs are soluble in various organic solvents and strong acidic aqueous solutions due to their protonation. It is named after Julius Tröger, who first synthesized it in 1887.