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| Name |
N-Acetylethyl-2-cis-crotonylcarbamide |
EINECS | N/A |
| CAS No. | 25614-78-2 | Density | 1.104g/cm3 |
| PSA | 82.25000 | LogP | 2.39560 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H14 N2 O3 | Boiling Point | 335.53°C (rough estimate) |
| Molecular Weight | 198.222 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Butenamide,N-[(acetylamino)carbonyl]-2-ethyl-, (Z)-; Urea, 1-acetyl-3-(2-ethylcrotonoyl)-,(Z)- (8CI); AEC; Homeostan; N3-Acetyl-2-ethyl-cis-crotonoylurea |
N-Acetylethyl-2-cis-crotonylcarbamide Chemical Properties
Molecule structure of N-Acetylethyl-2-cis-crotonylcarbamide (CAS NO.25614-78-2):
IUPAC Name: (Z)-N-(Acetylcarbamoyl)-2-ethylbut-2-enamide
Molecular Weight: 198.21906 g/mol
Molecular Formula: C9H14N2O3
Density: 1.104 g/cm3
Index of Refraction: 1.479
Molar Refractivity: 50.92 cm3
Molar Volume: 179.5 cm3
Polarizability: 20.18×10-24 cm3
Surface Tension: 37.6 dyne/cm
XLogP3-AA: 1.7
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 21
Exact Mass: 198.100442
MonoIsotopic Mass: 198.100442
Topological Polar Surface Area: 75.3
Heavy Atom Count: 14
Complexity: 282
Canonical SMILES: CCC(=CC)C(=O)NC(=O)NC(=O)C
Isomeric SMILES: CC/C(=C/C)/C(=O)NC(=O)NC(=O)C
InChI: InChI=1S/C9H14N2O3/c1-4-7(5-2)8(13)11-9(14)10-6(3)12/h4H,5H2,1-3H3,(H2,10,11,12,13,14)/b7-4-
InChIKey: GIVGVNLRHLKCMH-DAXSKMNVSA-N
N-Acetylethyl-2-cis-crotonylcarbamide Toxicity Data With Reference
| 1. | orl-mus LD50:3500 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,423. | ||
| 2. | ipr-mus LD50:1500 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,423. | ||
| 3. | ivn-mus LD50:300 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,423. |
N-Acetylethyl-2-cis-crotonylcarbamide Safety Profile
Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
N-Acetylethyl-2-cis-crotonylcarbamide Specification
N-Acetylethyl-2-cis-crotonylcarbamide (CAS NO.25614-78-2) is also named as AEC ; BRN 2094027 ; Homeostan ; 2-Butenamide, N-((acetylamino)carbonyl)-2-ethyl-, (Z)- (9CI) ; Urea, 1-acetyl-3-(2-ethylcrotonyl)-, (Z)- . N-Acetylethyl-2-cis-crotonylcarbamide (CAS NO.25614-78-2) is toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry.
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