Product Name

1-Butanol, 4-dimethylamino-1,1-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate Chemical Properties

Product Name: 1-Butanol, 4-dimethylamino-1,1-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate (CAS NO.64246-07-7)


Molecular Formula: C24H30N2O8•C6H8O7
Molecular Weight: 666.70g/mol
Mol File: 64246-07-7.mol
Boiling point: 647.1 °C at 760 mmHg
Flash Point: 345.2 °C
Enthalpy of Vaporization: 95.43 kJ/mol
Vapour Pressure: 1.24E-16 mmHg at 25°C
H-Bond Donor: 5
H-Bond Acceptor: 15
Structure Descriptors of 1-Butanol, 4-dimethylamino-1,1-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate (CAS NO.64246-07-7):
  IUPAC Name: [5-(1,3-Benzodioxol-5-yloxy)-4-(1,3-benzodioxol-5-yloxymethyl)-4-(methylcarbamoyloxy)pentyl]-dimethylazanium; 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate
  Canonical SMILES: CNC(=O)OC(CCC[NH+](C)C)(COC1=CC2=C(C=C1)OCO2)COC3=CC4=C(C=C3)OCO4.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O
  InChI:   InChI=1S/C24H30N2O8.C6H8O7/c1-25-23(27)34-24(9-4-10-26(2)3,13-28-17-5-7-19-21(11-17)32-15-30-19)14-29-18-6-8-20-22(12-18)33-16-31-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-8,11-12H,4,9-10,13-16H2,1-3H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) 
  InChIKey: DEUJMXDTFVLZKP-UHFFFAOYSA-N

1-Butanol, 4-dimethylamino-1,1-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 72mg/kg (72mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 502, 1977.
mouse LD50 oral 525mg/kg (525mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 502, 1977.

1-Butanol, 4-dimethylamino-1,1-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate Safety Profile

Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES and ESTERS.

1-Butanol, 4-dimethylamino-1,1-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate Specification

 1-Butanol, 4-dimethylamino-1,1-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate , its CAS NO. is 64246-07-7, the synonyms are CID47323 ; LS-46504 .

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