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| Name |
4-Butylamino-N-(2-(diethylamino)ethyl)phthalimide hydrochloride |
EINECS | N/A |
| CAS No. | 81994-68-5 | Density | N/A |
| PSA | 52.65000 | LogP | 3.64930 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H27N3O2•ClH | Boiling Point | 464.6°C at 760 mmHg |
| Molecular Weight | 353.892 | Flash Point | 234.8°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of HCl and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
4-Butylamino-N-(2-(diethylamino)ethyl)phthalimide hydrochloride Chemical Properties
Product Name: 4-Butylamino-N-(2-(diethylamino)ethyl)phthalimide hydrochloride (CAS NO.81994-68-5)
Molecular Formula: C18H28ClN3O2
Molecular Weight: 353.8868g/mol
Mol File: 81994-68-5.mol
Boiling point: 464.6 °C at 760 mmHg
Flash Point: 234.8 °C
Enthalpy of Vaporization: 72.61 kJ/mol
Vapour Pressure: 8.24E-09 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of 4-Butylamino-N-(2-(diethylamino)ethyl)phthalimide hydrochloride (CAS NO.81994-68-5):
IUPAC Name: 5-(Butylamino)-2-(2-diethylaminoethyl)isoindole-1,3-dione hydrochloride
Canonical SMILES: CCCCNC1=CC2=C(C=C1)C(=O)N(C2=O)CCN(CC)CC.Cl
InChI: InChI=1S/C18H27N3O2.ClH/c1-4-7-10-19-14-8-9-15-16(13-14)18(23)21(17(15)22)12-11-20(5-2)6-3;/h8-9,13,19H,4-7,10-12H2,1-3H3;1H
InChIKey: GISGYIAQWKUMHL-UHFFFAOYSA-N
4-Butylamino-N-(2-(diethylamino)ethyl)phthalimide hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 71mg/kg (71mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 16, Pg. 59, 1981. | |
| mouse | LD50 | intravenous | 3700ug/kg (3.7mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 16, Pg. 59, 1981. | |
| mouse | LD50 | oral | 312mg/kg (312mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 16, Pg. 59, 1981. | |
| mouse | LD50 | subcutaneous | 67mg/kg (67mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 16, Pg. 59, 1981. | |
| rat | LD50 | intraperitoneal | 66mg/kg (66mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 16, Pg. 59, 1981. | |
| rat | LD50 | intravenous | 6200ug/kg (6.2mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 16, Pg. 59, 1981. | |
| rat | LD50 | oral | 580mg/kg (580mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 16, Pg. 59, 1981. | |
| rat | LD50 | subcutaneous | 130mg/kg (130mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 16, Pg. 59, 1981. |
4-Butylamino-N-(2-(diethylamino)ethyl)phthalimide hydrochloride Safety Profile
Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of HCl and NOx.
4-Butylamino-N-(2-(diethylamino)ethyl)phthalimide hydrochloride Specification
4-Butylamino-N-(2-(diethylamino)ethyl)phthalimide hydrochloride , its CAS NO. is 81994-68-5, the synonyms are 5-Butylamino-2-(2-diethylaminoethyl)-1H-isoindole-1,3(2H)-dione hydrochloride ; Phthalimide, 4-butylamino-N-(2-(diethylamino)ethyl)-, hydrochloride .
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