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| Name |
Primocarcin |
EINECS | N/A |
| CAS No. | 3750-26-3 | Density | 1.155g/cm3 |
| PSA | 89.26000 | LogP | 0.56200 |
| Solubility | N/A | Melting Point |
130-131° |
| Formula | C8H12N2O3 | Boiling Point | 544.5°C at 760 mmHg |
| Molecular Weight | 184.22 | Flash Point | 283.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-Hexenamide,5-(acetylamino)-4-oxo;Primocarcin;5-(Acetylamino)-4-oxo-5-hexenamide;5-HEXENAMIDE,5-ACETAMIDO-4-OXO;Primocarcin,5-Acetamino-4-oxohex-5-ensaeureamid;5-Acetamino-4-oxo-hex-5-ensaeure-amid;4-Acetamido-4-penten-3-one-1-carboxamide; |
Primocarcin Chemical Properties
Product Name: Primocarcin (CAS NO.3750-26-3)
Molecular Formula: C8H12N2O3
Molecular Weight: 184.22g/mol
Mol File: 3750-26-3.mol
Boiling point: 544.5 °C at 760 mmHg
Flash Point: 283.1 °C
Density: 1.155 g/cm3
Surface Tension: 42.9 dyne/cm
Enthalpy of Vaporization: 82.31 kJ/mol
Vapour Pressure: 6.47E-12 mmHg at 25°C
XLogP3-AA: -1.3
H-Bond Donor: 2
H-Bond Acceptor: 3
Structure Descriptors of Primocarcin (CAS NO.3750-26-3):
IUPAC Name: 5-acetamido-4-oxohex-5-enamide
Canonical SMILES: CC(=O)NC(=C)C(=O)CCC(=O)N
InChI: InChI=1S/C8H12N2O3/c1-5(10-6(2)11)7(12)3-4-8(9)13/h1,3-4H2,2H3,(H2,9,13)(H,10,11)
InChIKey: DVMKENULKFKEFR-UHFFFAOYSA-N
Primocarcin Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 55500ug/kg (55.5mg/kg) | Journal of Antibiotics, Series A. Vol. 15, Pg. 250, 1962. | |
| mouse | LD50 | intravenous | 300mg/kg (300mg/kg) | Journal of Antibiotics, Series A. Vol. 15, Pg. 77, 1962. |
Primocarcin Safety Profile
Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
Primocarcin Specification
Primocarcin ,its CAS NO. is 3750-26-3,the synonyms is 4-Acetamido-4-penten-3-one-1-carboxamide ; 5-(Acetylamino)-4-oxo-5-hexenamide ; BRN 2415620 ; NSC 525602 ; 5-Hexenamide, 5-(acetylamino)-4-oxo- (9CI) .
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