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Name |
4-(3,4,5-Trimethoxycinnamoyl)-1-piperazineacetic acid ethyl ester hydrochloride |
EINECS | N/A |
CAS No. | 26219-22-7 | Density | N/A |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C20H28 N2 O6 . Cl H | Boiling Point | 564.9°C at 760 mmHg |
Molecular Weight | 428.96 | Flash Point | 295.5°C |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and HCl. Used to treat angina. See also ESTERS. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Piperazineaceticacid, 4-(3,4,5-trimethoxycinnamoyl)-, ethyl ester, monohydrochloride (8CI) |
Product Name: 4-(3,4,5-Trimethoxycinnamoyl)-1-piperazineacetic acid ethyl ester hydrochloride (CAS NO.26219-22-7)
Molecular Formula: C20H28N2O6•ClH
Molecular Weight: 428.96g/mol
Mol File: 26219-22-7.mol
Boiling point: 564.9 °C at 760 mmHg
Flash Point: 295.5 °C
Enthalpy of Vaporization: 84.86 kJ/mol
Vapour Pressure: 8.76E-13 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 7
Structure Descriptors of 4-(3,4,5-Trimethoxycinnamoyl)-1-piperazineacetic acid ethyl ester hydrochloride (CAS NO.26219-22-7):
IUPAC Name: ethyl2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetatehydrochloride
Canonical SMILES: CCOC(=O)CN1CCN(CC1)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC.Cl
Isomeric SMILES: CCOC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC.Cl
InChI: InChI=1S/C20H28N2O6.ClH/c1-5-28-19(24)14-21-8-10-22(11-9-21)18(23)7-6-15-12-16(25-2)20(27-4)17(13-15)26-3;/h6-7,12-13H,5,8-11,14H2,1-4H3;1H/b7-6+;
InChIKey: JBIBXWXTDRGMIV-UHDJGPCESA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 300mg/kg (300mg/kg) | United States Patent Document. Vol. #3590034, | |
mouse | LD50 | oral | 1300mg/kg (1300mg/kg) | Chimica Therapeutica. Vol. 4, Pg. 293, 1969. |
Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and HCl. Used to treat angina. See also ESTERS.
4-(3,4,5-Trimethoxycinnamoyl)-1-piperazineacetic acid ethyl ester hydrochloride , its CAS NO. is 26219-22-7, the synonyms are 4-(3',4',5'-Trimethoxycinnamoyl)-1-(ethoxycarbonylmethyl)piperazine hydrochloride ; 1-Piperazineacetic acid, 4-(3,4,5-trimethoxycinnamoyl)-, ethyl ester, hydrochloride .