Compound: 77-50-9
SMILES: O=C(OC(c1ccccc1)(C(CN(C)C)C)Cc2ccccc2)CC
InChIKey: XLMALTXPSGQGBX-UHFFFAOYSA-N
Synonyms: 77-50-9, RefChem:1078477, Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, 1-propanoate, Propoxyphene, dl-, 2-BUTANOL, 4-(DIMETHYLAMINO)-3-METHYL-1,2-DIPHENYL-, PROPIONATE (ester), Levo-Propoxyphene, (1R,2S)-1-Benzyl-3-dimethylamino-2-methyl-1-phenylpropyl propionate, alpha-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol propionate, Levopropoxyphen, DL-propoxyphene, [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate, Propoxyphenhydrochlorid, 1,2-Diphenyl-2-propionoxy-3-methyl-4-dimethylaminobutane, 4-(Dimethylamino)-3-methyl-1,2-diphenyl-2-butanol propionate, alpha-4-Dimethylamino-3-methyl-1,2-diphenyl-2-butanolpropionate, alpha-4-Dimethylamino-1,2-diphenyl-3-methyl-4-propionyloxybutane, alpha-N,N-Dimethyl-3,4-diphenyl-2-methyl-3-propionoxy-1-butylamine, 1,2-Difenyl-4-dimethylamino-3-methyl-2-butylester kyseliny propionove [Czech], Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, propanoate (ester), Propionic acid, alpha-(2-dimethylamino-1-methylethyl)-alpha-phenylphenethyl ester, SCHEMBL25406, 1-Benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propionate #, CHEMBL300117, CHEBI:77401, DTXSID60859379, 4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl propanoate, Benzeneethanol, .alpha.-[2-(dimethylamino)-1-methylethyl]-.alpha.-phenyl-, propanoate (ester), [S-(R*,S*)]-, 1,2-Difenyl-4-dimethylamino-3-methyl-2-butylester kyseliny propionove, PDSP1_001243, PDSP2_001227, FD35497, Benzeneethanol, .alpha.-[2-(dimethylamino)-1-methylethyl]-.alpha.-phenyl-, propanoate (ester), AB00514748, NS00010430, L001219, BRD-A54635441-078-09-1, Q23766565
Theoretical properties:
molecular_formula: C22H29NO2
molecular_weight: 339.5 g/mol
exact_mass: 339.219829168 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 9
heavy_atom_count: 25
topological_polar_surface_area: 29.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
{"pubchem": "1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate is a propanoate ester that is propyl propanoate substituted by a benzyl and phenyl group at position 1, a methyl group at position 2 and a dimethylamino group at position 3. It is a tertiary amine and a propanoate ester.", "chebi": "A propanoate ester that is propyl propanoate substituted by a benzyl and phenyl group at position 1, a methyl group at position 2 and a dimethylamino group at position 3.", "chembl": "Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.", "wikipedia": "The McDonnell Douglas DC-9 is an American five-abreast, single-aisle aircraft designed by the Douglas Aircraft Company. It was initially produced as the Douglas DC-9 before August 1967, when the company merged with McDonnell Aircraft to become McDonnell Douglas.\nEven before the introduction of its first jetliner, the high-capacity Douglas DC-8, in 1959, Douglas was interested in producing an aircraft suited to smaller routes. As early as 1958, design studies were made; approval for the DC-9, a smaller all-new jetliner, came on April 8, 1963. The DC-9-10 first flew on February 25, 1965, and got its type certificate on November 23, to enter service with Delta Air Lines on December 8.\nThe DC-9 is powered by two rear-mounted Pratt & Whitney JT8D low-bypass turbofan engines under a T-tail for a cleaner wing aerodynamic. It has a two-person flight deck and built-in airstairs to better suit smaller airports. It was capable of taking off from 5,000-foot (1,500-metre) runways, connecting small cities and towns where jet service was previously impossible. \nThe Series 10 aircraft are 104 ft (32 m) long for typically 90 coach seats. The Series 30, stretched by 15 ft (4.6 m) to seat 115 in economy, has a larger wing and more powerful engines for a higher maximum takeoff weight (MTOW); it first flew in August 1966 and entered service in February 1967.\nThe Series 20 has the Series 10 fuselage, more powerful engines, and the Series 30's improved wings; it first flew in September 1968 and entered service in January 1969.\nThe Series 40 was further lengthened by 6 ft (1.8 m) for 125 passengers, and the final DC-9-50 series first flew in 1974, stretched again by 8 ft (2.4 m) for 135 passengers.\nWhen deliveries ended in October 1982, 976 had been built.\nSmaller variants competed with the BAC One-Eleven, Fokker F28, and Sud Aviation Caravelle, and larger ones with the original Boeing 737.\nThe original DC-9 was followed by the second generation in 1980, the MD-80 series, a lengthened DC-9-50 with a larger wing and a higher MTOW. This was further developed into the third generation, the MD-90, in the early 1990s, as the fuselage was stretched again, fitted with V2500 high-bypass turbofans, and an updated flight deck. The shorter and final version, the MD-95, was renamed the Boeing 717 after McDonnell Douglas's merger with Boeing in 1997; it is powered by Rolls-Royce BR715 engines. The DC-9 family was produced between 1965 and 2006 with a total delivery of 2441 units: 976 DC-9s, 1191 MD-80s, 116 MD-90s, and 155 Boeing 717s. As of August 2022, 250 aircraft remain in service: 31 DC-9s (freighter), 116 MD-80s (mainly freighter), and 103 Boeing 717s (passenger), while the MD-90 was retired without freighter conversion."}