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| Name |
N-Ethyl-N,1-dimethyl-3,3-di-2-thienyl-2-propenamine |
EINECS | N/A |
| CAS No. | 64037-50-9 | Density | g/cm3 |
| PSA | 59.72000 | LogP | 5.38350 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H19 N S2 . Cl H | Boiling Point | 385.7°Cat760mmHg |
| Molecular Weight | 313.93 | Flash Point | 187.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion, intravenous, and subcutaneous routes. Used as a narcotic analgesic. When heated to decomposition it emits very toxic fumes of NOx, SOx, and HCl. See also ALLYL COMPOUNDS and AMINES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N-Ethyl-N-methyl-4,4-di(2-thienyl)-3-buten-2-aminium chloride; |
N-Ethyl-N,1-dimethyl-3,3-di-2-thienyl-2-propenamine Chemical Properties
IUPAC Name: 4,4-dithiophen-2-ylbut-3-en-2-yl-ethyl-methylazanium chloride
Empirical Formula: C15H20ClNS2
Molecular Weight: 313.909g/mol
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 5
Exact Mass: 313.072569
MonoIsotopic Mass: 313.072569
Topological Polar Surface Area: 4.4
Heavy Atom Count: 19
Formal Charge: 0
Complexity: 272
Flash Point: 187.1 °C
Enthalpy of Vaporization: 63.46 kJ/mol
Boiling Point: 385.7 °C at 760 mmHg
Vapour Pressure: 3.72E-06 mmHg at 25°C
Canonical SMILES: CC[NH+](C)C(C)C=C(C1=CC=CS1)C2=CC=CS2.[Cl-]
InChI: InChI=1S/C15H19NS2.ClH/c1-4-16(3)12(2)11-13(14-7-5-9-17-14)15-8-6-10-18-15;/h5-12H,4H2,1-3H3;1H
InChIKey: ISXRXBARLXCMSX-UHFFFAOYSA-N
Structure of N-Ethyl-N,1-dimethyl-3,3-di-2-thienyl-2-propenamine hydrochloride (CAS NO.64037-50-9):
.bmp)
N-Ethyl-N,1-dimethyl-3,3-di-2-thienyl-2-propenamine Toxicity Data With Reference
| 1. | scu-rat LD50:63 mg/kg | BJPCAL British Journal of Pharmacology and Chemotherapy. 8 (1953),2. | ||
| 2. | orl-mus LD50:192 mg/kg | MEIEDD Merck Index. 10 (1983),553. | ||
| 3. | scu-mus LD50:88 mg/kg | MEIEDD Merck Index. 10 (1983),553. | ||
| 4. | ivn-mus LD50:17 mg/kg | BJPCAL British Journal of Pharmacology and Chemotherapy. 8 (1953),2. |
N-Ethyl-N,1-dimethyl-3,3-di-2-thienyl-2-propenamine Safety Profile
Poison by ingestion, intravenous, and subcutaneous routes. Used as a narcotic analgesic. When heated to decomposition it emits very toxic fumes of NOx, SOx, and HCl. See also ALLYL COMPOUNDS and AMINES.
N-Ethyl-N,1-dimethyl-3,3-di-2-thienyl-2-propenamine Specification
N-Ethyl-N,1-dimethyl-3,3-di-2-thienyl-2-propenamine hydrochloride , its cas register number is 64037-50-9. It also can be called 1C50 hydrochloride ; 3-Buten-2-amine, N-ethyl-N-methyl-4,4-di-2-thienyl-, hydrochloride ; 3-Ethylmethylamino-1,1-di(2'-thienyl)but-1-ene hydrochloride ; Emethibutin hydrochloride ; Ethylmethiambutene hydrochloride ;
Ethylmethylthiambutene hydrochloride ; N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride ; NIH-5145 hydrochloride . When heated to decomposition it emits very toxic fumes of NOx, SOx.
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