- Isoaminile citrate
- Isoaminile cyclamate
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| Name |
Isoaminile citrate |
EINECS | N/A |
| CAS No. | 28416-66-2 | Density | 0.952g/cm3 |
| PSA | 164.82000 | LogP | -0.47372 |
| Solubility | N/A | Melting Point |
63-64° |
| Formula | C16H24N2•C6H8O7 | Boiling Point | 346.1°Cat760mmHg |
| Molecular Weight | 436.56 | Flash Point | 136.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(3-cyano-2-methyl-3-phenylhexane-5-yl)dimethylammonium dihydrogen (2-hydroxypropane-1,2,3-tricarboxylate) |
Isoaminile citrate Chemical Properties
Name of Substance: Isoaminile citrate
CAS Registry Number: 28416-66-2
Synonyms: EINECS 249-011-4 ; Isoaminile citrate ; Peracon ; Perocan citrate ; alfa-Isopropyl-beta-dimethylaminopropyl-phenylacetonytrile citrate ; alpha-(Isopropyl)-alpha-(beta-dimethylaminopropyl)phenylacetonitril citrate ; (3-Cyano-2-methyl-3-phenylhexane-5-yl)dimethylammonium dihydrogen (2-hydroxypropane-1,2,3-tricarboxylate) ; Valeronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, citrate
IUPAC Name: 4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile ; 2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular Weight: 436.49868 [g/mol]
Molecular Formula: C22H32N2O7
H-Bond Donor: 4
H-Bond Acceptor: 9
EINECS: 249-011-4
Flash Point: 292.9 °C
Enthalpy of Vaporization: 88.74 kJ/mol
Boiling Point: 560.7 °C at 760 mmHg
Vapour Pressure: 2.07E-13 mmHg at 25°C
Other Registry Number: 126-10-3 ;2438-42-8
Related Registry Number: 77-51-0 (Parent)
Following is the molecular structure of Isoaminile citrate (CAS NO.28416-66-2) is:
Isoaminile citrate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intravenous | 36mg/kg (36mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of New Drugs. Vol. 2, Pg. 43, 1962. |
| mouse | LD50 | intravenous | 52mg/kg (52mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 2212, 1971. |
| mouse | LD50 | oral | 274mg/kg (274mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 2212, 1971. |
| mouse | LD50 | subcutaneous | 157mg/kg (157mg/kg) | Drugs in Japan Vol. 6, Pg. 71, 1982. | |
| rabbit | LD50 | intravenous | 36mg/kg (36mg/kg) | BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of New Drugs. Vol. 2, Pg. 43, 1962. |
| rat | LD50 | intravenous | 36mg/kg (36mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of New Drugs. Vol. 2, Pg. 43, 1962. |
| rat | LD50 | oral | 250mg/kg (250mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 2212, 1971. |
| rat | LD50 | subcutaneous | 220mg/kg (220mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 2212, 1971. |
Isoaminile citrate Safety Profile
Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
Isoaminile citrate Specification
Descriptors computed from structure, you can know some information about Isoaminile citrate (CAS NO.28416-66-2) :
Canonical SMILES: CC(C)C(CC(C)N(C)C)(C#N)C1=CC=CC=C1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI: InChI=1S/C16H24N2.C6H8O7/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-10,13-14H,11H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey: ZXASMEUEMIIBDZ-UHFFFAOYSA-N
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