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| Name |
1-Butanol, 4-dimethylamino-1,1-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate |
EINECS | N/A |
| CAS No. | 64246-07-7 | Density | N/A |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C24H30N2O8•C6H8O7 | Boiling Point | 647.1°C at 760 mmHg |
| Molecular Weight | 666.70 | Flash Point | 345.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES and ESTERS. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
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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