Compound: Mexacarbate
SMILES: O=C(Oc1cc(c(N(C)C)c(c1)C)C)NC
InChIKey: YNEVBPNZHBAYOA-UHFFFAOYSA-N
Synonyms: Mexacarbate, ZECTRAN, 315-18-4, Zectane, Zextran, Dowco 139, Mexicarbate, Zectrane, OMS-47, 4-Dimethylamino-3,5-xylyl methylcarbamate, 4-(Dimethylamino)-3,5-Xylyl methylcarbamate, Caswell No. 579B, OMS 639, NCI-C00544, ENT 25766, 4-Dimethylamino-3,5-xylyl N-methylcarbamate, DTXSID7020893, ZTM4IPV8G8, Methyl-4-dimethylamino-3,5-xylyl carbamate, Phenol, 4-(dimethylamino)-3,5-dimethyl-, methylcarbamate (ester), 4-(Dimethylamino)-3,5-dimethylphenyl N-methylcarbamate, 4-(Dimethylamine)-3,5-xylyl N-methylcarbamate, Carbamate, 4-dimethylamino-3,5-xylyl N-methyl-, 3,5-Xylenol, 4-(dimethylamino)-, methylcarbamate, 4-(N,N-Dimethylamino)-3,5-xylyl N-methylcarbamate, 4-(Dimethylamino)-3,5-dimethylphenyl methylcarbamate, Methylcarbamic acid, 4-(dimethylamino)-3,5-xylyl ester, 4-Dimethylamino-3,5-xylyl-N-methylcarbamate, Carbamic acid, methyl-, 4-(dimethylamino)-3,5-xylyl ester, 4-(Dimethylamino)-3,5-dimethylphenol methylcarbamate (ester), Carbamic acid, methyl-, 4-(dimethylamino)-3,5-dimethylphenyl ester, 3,5-Dimethyl-4-(dimethylamino)phenyl methylcarbamate, DTXCID50893, 4-(Dimethylamino)-3,5-xylenol, methylcarbamate (ester), CHEBI:82092, 4-Dimethylamino-3,5-dimethylphenyl N-methylcarbamate, Carbamic acid, methyl-, 4-dimethylamino-3,5-xylyl ester, METHYLCARBAMIC ACID 4-(DIMETHYLAMINO)-3,5-XYLYL ESTER, DOWCO-139, RefChem:818796, ENT-25,766, 206-249-3, Methyl-4-dimethylamino-3,5-xylyl ester of carbamic acid, Mexacarbate [ANSI], CCRIS 411, HSDB 1042, EINECS 206-249-3, UNII-ZTM4IPV8G8, Mexacarbate [ANSI:ISO], EPA Pesticide Chemical Code 044201, BRN 2216978, [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate, AI3-25766, MAZ, ZECTRAN [IARC], MEXACARBATE [MI], MEXACARBATE [ISO], MEXACARBATE [HSDB], SCHEMBL121459, CHEMBL454804, MSK20255, Tox21_200649, ENT 25,766, NCGC00248781-01, NCGC00258203-01, CAS-315-18-4, NS00002542, C18952, Mexacarbate, PESTANAL(R), analytical standard, 4-(Dimethylamino)-3,5-xylenol, methylcarbamate, Q6825702, 4-(Dimethylamino)-3,5-dimethylphenol methylcarbamate, 4-(Dimethylamino)-3,5-dimethylphenyl methylcarbamate #, Phenol, 4-(dimethylamino)-3,5-dimethyl-, methylcarbamate, Carbamic acid, 3,5-dimethyl-4-dimethylaminophenyl ester, N-methyl, PHENOL, 4-(DIMETHYLAMINO)-3,5-DIMETHYL-, 1-(N-METHYLCARBAMATE), Pesticide9_Mexacarbate_C12H18N2O2_4-(Dimethylamino)-3,5-dimethylphenyl methylcarbamate
Theoretical properties:
molecular_formula: C12H18N2O2
molecular_weight: 222.28 g/mol
exact_mass: 222.136827821 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 16
topological_polar_surface_area: 41.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: WHITE CRYSTALLINE SOLID
color: WHITE CRYSTALLINE SOLID
odor: ODORLESS
melting_point: 185 °F (EPA, 1998)
solubility: 0.01% IN WATER AT 25 °C
vapor_pressure: Less than 0.1 at 293.2F (EPA, 1998)
Descriptions:
pubchem: Mexacarbate is a member of benzenes.
chembl: MEXACARBATE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Mexacarbate is a carbamate pesticide developed by Alexander Shulgin and marketed in 1961 by Dow Chemical Company under the trade name Zectran. As of 2009, Mexacarbate is considered obsolete or discontinued, according to the World Health Organization. It is notable for being the first biodegradable pesticide.